data_2mcw_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 2mcw _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 pt -50.02 -33.3 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.877 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.494 ' HE2' HH21 ' A' ' 7' ' ' ARG . 73.2 t60 -50.41 -46.24 56.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -70.56 -42.88 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.365 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.9 mm -62.44 -34.5 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.451 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.08 -42.68 99.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.135 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.494 HH21 ' HE2' ' A' ' 3' ' ' HIS . 96.7 mtt180 -60.19 -34.82 74.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.719 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.92 -39.91 74.58 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.29 -51.74 68.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.356 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.65 -42.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -66.34 -45.03 81.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.91 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.25 -46.91 47.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.04 -36.9 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.616 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.31 -43.54 98.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.381 . . . . 0.0 110.511 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -43.53 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.233 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.22 -34.36 87.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.611 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.6 mt -52.72 -32.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.326 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -47.91 -43.29 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.26 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -67.84 -48.09 67.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.249 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 98.4 mt -59.63 -33.13 50.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -62.48 -45.84 91.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.748 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -56.14 -33.97 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.492 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.04 -36.93 73.12 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -51.87 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.56 -41.77 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.52 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -65.93 -43.23 88.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.384 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.46 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.93 -42.43 12.62 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -53.63 -36.23 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.32 . . . . 0.0 110.437 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t -62.13 -40.79 97.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.28 -43.9 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.494 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.77 -43.52 91.55 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.564 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 2' ' ' ILE . 0.9 OUTLIER -49.32 -33.35 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.997 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -50.52 -47.99 57.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.593 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -69.89 -48.86 57.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.745 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.4 -34.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.99 -44.0 97.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.64 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.26 -36.06 80.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.28 -34.57 90.27 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.14 -45.81 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.135 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.31 -45.74 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.47 -46.75 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.15 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.86 -44.24 15.3 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -50.81 -33.3 23.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.651 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.06 -43.26 95.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.7 mp -63.55 -44.83 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.127 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.59 95.93 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 0.0 110.84 -179.8 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.7 p90 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' PHE . 61.0 mt -54.4 -33.8 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.463 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.64 ' CD2' ' N ' ' A' ' 4' ' ' HIS . 27.5 p-80 -48.97 -46.01 42.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.508 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.64 ' N ' ' CD2' ' A' ' 3' ' ' HIS . 86.1 t60 -68.95 -48.9 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 0.0 110.498 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -33.18 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' ILE . 60.6 t80 -65.64 -37.38 86.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -53.91 -34.75 60.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.555 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.86 92.59 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.7 mp -66.88 -44.46 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.405 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.71 -46.77 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.8 -44.87 84.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -62.6 -25.84 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.675 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.62 22.83 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -56.14 -34.9 66.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 36.4 p -60.27 -43.32 96.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.479 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.6 mp -64.94 -45.83 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.224 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.47 -45.45 94.82 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.723 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 2' ' ' ILE . 20.3 mm -50.62 -33.58 11.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -50.46 -47.87 56.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -67.6 -48.71 66.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.531 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.85 -33.62 56.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.727 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.21 -43.06 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.88 74.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.38 -33.6 85.19 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 9' ' ' ILE . 36.2 mm -63.17 -45.54 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.73 -44.91 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -65.93 -45.79 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.95 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.43 31.97 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.84 -39.27 93.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.679 0.276 . . . . 0.0 110.481 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -62.8 -43.68 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.504 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.48 -44.37 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.554 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.07 -35.07 88.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.568 0.223 . . . . 0.0 110.883 -179.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 6' ' ' PHE . 21.0 tt -50.83 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -49.78 -47.86 50.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.86 -48.17 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.615 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.63 -33.49 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ILE . 65.8 t80 -63.56 -40.61 97.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.13 -34.97 75.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.0 80.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.77 -52.46 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.27 -41.82 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -65.62 -47.41 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.694 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.11 -24.96 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.59 -43.57 9.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -56.2 -36.17 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.696 0.284 . . . . 0.0 110.484 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -60.74 -36.82 79.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.28 -42.44 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.361 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.16 91.88 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.606 0.241 . . . . 0.0 110.698 -179.686 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 pt -50.58 -33.65 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -50.66 -45.96 58.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.519 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -70.13 -47.37 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.282 0.563 . . . . 0.0 110.373 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -60.71 -34.26 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.591 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -63.16 -41.89 99.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.237 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -56.12 -34.73 66.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.242 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.94 83.92 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.29 -51.41 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.799 0.333 . . . . 0.0 110.444 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.87 -42.21 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -67.43 -44.87 77.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.855 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.84 -37.12 20.4 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -54.95 -34.32 63.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.782 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.0 mp -64.7 -43.93 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.88 -34.43 88.59 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 . . . . . 0 C--N 1.327 -0.412 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.783 -179.487 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.418 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 72.6 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -50.57 -31.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.572 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 1.4 p-80 -46.34 -39.24 9.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 4.8 m170 -71.92 -45.79 59.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.242 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.2 -35.12 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.08 -40.58 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -59.09 -36.9 75.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.84 -34.53 90.07 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.7 -48.22 89.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.31 -45.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -61.65 -48.14 82.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.69 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.76 -26.38 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.9 -43.78 16.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -60.81 -39.43 88.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.696 0.284 . . . . 0.0 110.503 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -63.02 -44.87 94.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.56 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.381 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.31 86.47 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.817 0.341 . . . . 0.0 110.862 -179.621 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.426 HG23 HD13 ' A' ' 2' ' ' ILE . 96.4 mt -51.28 -34.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.408 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -50.98 -48.74 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.67 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -71.16 -51.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.102 0.477 . . . . 0.0 110.646 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.67 -33.3 44.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.709 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' ILE . 91.8 t80 -67.71 -35.12 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -51.06 -34.5 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.551 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.68 85.45 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.6 mp -63.11 -50.75 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.319 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.39 -44.87 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.76 -49.44 77.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.37 64.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.614 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.04 -63.82 4.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -52.45 -32.72 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.867 0.365 . . . . 0.0 111.07 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -62.33 -35.0 77.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.768 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 tp -52.23 -37.73 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.58 -38.36 78.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -179.615 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -49.94 -31.79 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -48.67 -44.69 37.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.366 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.77 -50.85 54.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.899 0.381 . . . . 0.0 110.541 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.31 -33.95 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.408 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.33 -41.98 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.9 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -59.02 -34.5 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.12 -37.42 82.08 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.05 -51.61 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.31 -42.87 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.79 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.94 -45.81 40.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.51 -37.19 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.419 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -62.45 -43.62 98.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -43.94 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.2 -34.99 87.63 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 pt -50.02 -33.3 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.877 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.494 ' HE2' HH21 ' A' ' 7' ' ' ARG . 73.2 t60 -50.41 -46.24 56.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -70.56 -42.88 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.365 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.9 mm -62.44 -34.5 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.451 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.08 -42.68 99.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.135 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.494 HH21 ' HE2' ' A' ' 3' ' ' HIS . 96.7 mtt180 -60.19 -34.82 74.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.719 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.92 -39.91 74.58 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.29 -51.74 68.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.356 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.65 -42.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -66.34 -45.03 81.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.91 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.25 -46.91 47.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.04 -36.9 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.616 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.31 -43.54 98.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.381 . . . . 0.0 110.511 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -43.53 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.233 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.22 -34.36 87.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -60.51 -41.76 95.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -64.5 -34.81 79.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.77 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -50.76 -34.31 26.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.266 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.621 ' C ' ' HN2' ' A' ' 23' ' ' NH2 . 14.9 m -51.24 131.7 28.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.225 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.82 0.0 0.08 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.621 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.027 0 O-C-N 122.514 -0.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.6 mt -52.72 -32.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.326 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -47.91 -43.29 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.26 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -67.84 -48.09 67.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.249 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 98.4 mt -59.63 -33.13 50.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -62.48 -45.84 91.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.748 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -56.14 -33.97 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.492 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.04 -36.93 73.12 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -51.87 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.56 -41.77 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.52 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -65.93 -43.23 88.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.384 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.46 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.93 -42.43 12.62 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -53.63 -36.23 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.32 . . . . 0.0 110.437 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t -62.13 -40.79 97.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.28 -43.9 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.494 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.77 -43.52 91.55 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -65.08 -37.96 89.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.564 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.56 -35.77 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -50.97 -33.76 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.365 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -49.97 -53.13 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.295 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.33 0.04 0.03 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.998 0 O-C-N 122.541 -0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 2' ' ' ILE . 0.9 OUTLIER -49.32 -33.35 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.997 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -50.52 -47.99 57.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.593 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -69.89 -48.86 57.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.745 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.4 -34.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.99 -44.0 97.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.64 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.26 -36.06 80.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.28 -34.57 90.27 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.14 -45.81 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.135 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.31 -45.74 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.47 -46.75 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.15 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.86 -44.24 15.3 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -50.81 -33.3 23.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.651 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.06 -43.26 95.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.7 mp -63.55 -44.83 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.127 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.59 95.93 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -64.23 -39.69 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.18 -36.15 81.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.47 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.3 tp -51.62 -34.59 38.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.359 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.596 ' HG1' ' H ' ' A' ' 22' ' ' GLY . 73.2 p -49.61 -56.66 9.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.037 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.596 ' H ' ' HG1' ' A' ' 21' ' ' THR . . . -174.83 -0.0 0.03 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.066 0 O-C-N 122.512 -0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.7 p90 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' PHE . 61.0 mt -54.4 -33.8 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.463 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.64 ' CD2' ' N ' ' A' ' 4' ' ' HIS . 27.5 p-80 -48.97 -46.01 42.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.508 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.64 ' N ' ' CD2' ' A' ' 3' ' ' HIS . 86.1 t60 -68.95 -48.9 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 0.0 110.498 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -33.18 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' ILE . 60.6 t80 -65.64 -37.38 86.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -53.91 -34.75 60.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.555 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.86 92.59 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.7 mp -66.88 -44.46 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.405 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.71 -46.77 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.8 -44.87 84.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -62.6 -25.84 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.675 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.62 22.83 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -56.14 -34.9 66.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 36.4 p -60.27 -43.32 96.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.479 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.6 mp -64.94 -45.83 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.224 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.47 -45.45 94.82 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -61.02 -39.09 88.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.723 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.88 -35.38 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.132 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.54 -35.57 30.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.491 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.7 p -49.89 -58.69 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.218 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.26 0.03 50.1 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.042 0 O-C-N 122.497 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 2' ' ' ILE . 20.3 mm -50.62 -33.58 11.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -50.46 -47.87 56.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -67.6 -48.71 66.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.531 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.85 -33.62 56.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.727 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.21 -43.06 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.88 74.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.38 -33.6 85.19 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 9' ' ' ILE . 36.2 mm -63.17 -45.54 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.73 -44.91 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -65.93 -45.79 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.95 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.43 31.97 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.84 -39.27 93.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.679 0.276 . . . . 0.0 110.481 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -62.8 -43.68 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.504 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.48 -44.37 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.554 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.07 -35.07 88.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -59.91 -41.23 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.568 0.223 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -62.27 -33.88 75.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.346 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -50.17 -33.3 18.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.579 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -48.94 165.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.507 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.78 0.1 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.056 0 O-C-N 122.484 -0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 6' ' ' PHE . 21.0 tt -50.83 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -49.78 -47.86 50.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.86 -48.17 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.615 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.63 -33.49 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ILE . 65.8 t80 -63.56 -40.61 97.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.13 -34.97 75.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.0 80.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.77 -52.46 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.27 -41.82 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -65.62 -47.41 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.694 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.11 -24.96 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.59 -43.57 9.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -56.2 -36.17 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.696 0.284 . . . . 0.0 110.484 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -60.74 -36.82 79.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.28 -42.44 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.361 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.16 91.88 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -62.62 -41.53 99.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.606 0.241 . . . . 0.0 110.698 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -64.28 -33.9 76.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.649 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -37.21 41.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.339 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 t -49.21 131.19 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.561 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.51 0.01 0.12 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.046 0 O-C-N 122.537 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 pt -50.58 -33.65 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -50.66 -45.96 58.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.519 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -70.13 -47.37 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.282 0.563 . . . . 0.0 110.373 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -60.71 -34.26 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.591 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -63.16 -41.89 99.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.237 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -56.12 -34.73 66.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.242 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.94 83.92 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.29 -51.41 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.799 0.333 . . . . 0.0 110.444 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.87 -42.21 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -67.43 -44.87 77.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.855 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.84 -37.12 20.4 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -54.95 -34.32 63.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.782 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 2.0 mp -64.7 -43.93 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.88 -34.43 88.59 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -59.59 -42.26 92.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.783 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -65.85 -36.13 82.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.658 0.266 . . . . 0.0 110.713 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.2 tp -55.59 -34.5 64.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.254 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -52.41 137.04 30.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.372 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.91 -0.01 12.43 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.012 0 O-C-N 122.517 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.418 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 72.6 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -50.57 -31.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.572 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 1.4 p-80 -46.34 -39.24 9.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 4.8 m170 -71.92 -45.79 59.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.242 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.2 -35.12 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.08 -40.58 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -59.09 -36.9 75.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.84 -34.53 90.07 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.7 -48.22 89.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.31 -45.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -61.65 -48.14 82.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.69 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.76 -26.38 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.9 -43.78 16.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -60.81 -39.43 88.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.696 0.284 . . . . 0.0 110.503 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -63.02 -44.87 94.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.56 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.381 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.31 86.47 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -54.43 -39.91 67.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.817 0.341 . . . . 0.0 110.862 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.4 -35.67 81.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.35 -33.9 68.24 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.407 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -54.24 135.29 44.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.42 0.04 70.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 122.563 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.426 HG23 HD13 ' A' ' 2' ' ' ILE . 96.4 mt -51.28 -34.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.408 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -50.98 -48.74 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.67 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -71.16 -51.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.102 0.477 . . . . 0.0 110.646 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.67 -33.3 44.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.709 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' ILE . 91.8 t80 -67.71 -35.12 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -51.06 -34.5 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.551 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.68 85.45 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.6 mp -63.11 -50.75 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.319 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.39 -44.87 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -60.76 -49.44 77.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.37 64.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.614 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.04 -63.82 4.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -52.45 -32.72 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.867 0.365 . . . . 0.0 111.07 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -62.33 -35.0 77.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.768 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 tp -52.23 -37.73 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.58 -38.36 78.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 -63.87 -39.91 95.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -67.14 -34.82 78.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.06 -34.72 70.42 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.966 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -48.54 -21.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.596 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.84 -76.97 0.09 OUTLIER Glycine 0 C--O 1.22 -0.779 0 CA-C-O 118.038 -1.423 . . . . 0.0 110.977 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 125.465 1.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -49.94 -31.79 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -48.67 -44.69 37.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.366 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.77 -50.85 54.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.899 0.381 . . . . 0.0 110.541 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.31 -33.95 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.408 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.33 -41.98 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.9 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -59.02 -34.5 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.12 -37.42 82.08 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.05 -51.61 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.31 -42.87 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.79 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.94 -45.81 40.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.51 -37.19 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.419 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -62.45 -43.62 98.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -43.94 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.2 -34.99 87.63 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -62.64 -41.62 99.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -66.77 -36.2 81.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.697 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 tp -50.46 -33.98 23.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.595 ' C ' ' HN2' ' A' ' 23' ' ' NH2 . 18.8 m -50.07 -53.13 29.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.293 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.04 0.04 0.15 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.595 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.053 0 O-C-N 122.48 -0.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 2' ' ' ILE . 27.9 pt -50.02 -33.3 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.877 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -50.41 -46.24 56.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -70.56 -42.88 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.365 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.9 mm -62.44 -34.5 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.451 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.08 -42.68 99.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.135 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -60.19 -34.82 74.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.719 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.92 -39.91 74.58 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.29 -51.74 68.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.356 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.3 p -66.65 -42.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.485 ' N ' HG13 ' A' ' 10' ' ' VAL . 30.3 t-80 -66.34 -45.03 81.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.91 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.25 -46.91 47.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.04 -36.9 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.616 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.31 -43.54 98.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.381 . . . . 0.0 110.511 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -43.53 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.233 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.22 -34.36 87.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.611 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.6 mt -52.72 -32.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.326 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -47.91 -43.29 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.26 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -67.84 -48.09 67.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.249 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 98.4 mt -59.63 -33.13 50.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -62.48 -45.84 91.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.748 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -56.14 -33.97 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.492 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.04 -36.93 73.12 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -51.87 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 11' ' ' HIS . 34.5 m -65.56 -41.77 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.52 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.487 ' N ' HG23 ' A' ' 10' ' ' VAL . 79.5 t60 -65.93 -43.23 88.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.384 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.46 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.93 -42.43 12.62 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -53.63 -36.23 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.32 . . . . 0.0 110.437 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t -62.13 -40.79 97.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.28 -43.9 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.494 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.77 -43.52 91.55 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.564 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -49.32 -33.35 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.997 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -50.52 -47.99 57.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.593 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -69.89 -48.86 57.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.745 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.4 -34.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.99 -44.0 97.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.64 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.26 -36.06 80.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.28 -34.57 90.27 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.14 -45.81 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.135 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.31 -45.74 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.47 -46.75 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.15 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.86 -44.24 15.3 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -50.81 -33.3 23.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.651 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.06 -43.26 95.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -63.55 -44.83 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.127 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.59 95.93 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 0.0 110.84 -179.8 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.7 p90 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.4 -33.8 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.463 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 4' ' ' HIS . 34.7 p80 -48.97 -46.01 42.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.508 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.506 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 86.1 t60 -68.95 -48.9 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 0.0 110.498 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -33.18 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.64 -37.38 86.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -53.91 -34.75 60.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.555 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.86 92.59 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.7 mp -66.88 -44.46 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.405 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.71 -46.77 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.8 -44.87 84.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -62.6 -25.84 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.675 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.62 22.83 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -56.14 -34.9 66.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 36.4 p -60.27 -43.32 96.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -64.94 -45.83 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.224 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.47 -45.45 94.82 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.723 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.62 -33.58 11.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -50.46 -47.87 56.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -67.6 -48.71 66.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.531 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.85 -33.62 56.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.727 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.21 -43.06 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.88 74.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.38 -33.6 85.19 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 mm -63.17 -45.54 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.73 -44.91 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -65.93 -45.79 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.95 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.43 31.97 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.84 -39.27 93.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.679 0.276 . . . . 0.0 110.481 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -62.8 -43.68 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.504 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.48 -44.37 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.554 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.07 -35.07 88.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.568 0.223 . . . . 0.0 110.883 -179.76 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 6' ' ' PHE . 21.0 tt -50.83 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -49.78 -47.86 50.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.86 -48.17 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.615 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.63 -33.49 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ILE . 65.8 t80 -63.56 -40.61 97.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.13 -34.97 75.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.0 80.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.77 -52.46 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.4 p -67.27 -41.82 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.486 ' N ' HG13 ' A' ' 10' ' ' VAL . 83.9 t60 -65.62 -47.41 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.694 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.11 -24.96 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.59 -43.57 9.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -56.2 -36.17 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.696 0.284 . . . . 0.0 110.484 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -60.74 -36.82 79.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.28 -42.44 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.361 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.16 91.88 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.606 0.241 . . . . 0.0 110.698 -179.686 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 pt -50.58 -33.65 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -50.66 -45.96 58.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.519 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -70.13 -47.37 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.282 0.563 . . . . 0.0 110.373 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -60.71 -34.26 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.591 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -63.16 -41.89 99.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.237 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -56.12 -34.73 66.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.242 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.94 83.92 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.29 -51.41 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.799 0.333 . . . . 0.0 110.444 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' HIS . 5.1 p -66.87 -42.21 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' VAL . 27.4 m80 -67.43 -44.87 77.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.855 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.84 -37.12 20.4 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -54.95 -34.32 63.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.782 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.0 mp -64.7 -43.93 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.88 -34.43 88.59 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 . . . . . 0 C--N 1.327 -0.412 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.783 -179.487 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.418 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 72.6 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -50.57 -31.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.572 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 1.4 p-80 -46.34 -39.24 9.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 0.1 OUTLIER -71.92 -45.79 59.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.242 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.2 -35.12 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.08 -40.58 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -59.09 -36.9 75.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.84 -34.53 90.07 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.7 -48.22 89.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.31 -45.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -61.65 -48.14 82.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.69 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.76 -26.38 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.9 -43.78 16.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -60.81 -39.43 88.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.696 0.284 . . . . 0.0 110.503 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -63.02 -44.87 94.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.56 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.381 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.31 86.47 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.817 0.341 . . . . 0.0 110.862 -179.621 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' PHE . 96.4 mt -51.28 -34.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.408 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -50.98 -48.74 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.67 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -71.16 -51.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.102 0.477 . . . . 0.0 110.646 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.67 -33.3 44.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.709 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' ILE . 91.8 t80 -67.71 -35.12 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -51.06 -34.5 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.551 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.68 85.45 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.6 mp -63.11 -50.75 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.319 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.7 p -69.39 -44.87 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG13 ' A' ' 10' ' ' VAL . 82.8 t60 -60.76 -49.44 77.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.37 64.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.614 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 16' ' ' ILE . . . -64.04 -63.82 4.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -52.45 -32.72 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.867 0.365 . . . . 0.0 111.07 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -62.33 -35.0 77.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.768 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.3 tp -52.23 -37.73 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.58 -38.36 78.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -179.615 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -49.94 -31.79 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -48.67 -44.69 37.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.366 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.77 -50.85 54.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.899 0.381 . . . . 0.0 110.541 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.31 -33.95 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.408 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.33 -41.98 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.9 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -59.02 -34.5 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.12 -37.42 82.08 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.05 -51.61 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' HIS . 6.4 p -67.31 -42.87 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 54.8 t-80 -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.79 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.94 -45.81 40.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.51 -37.19 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.419 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -62.45 -43.62 98.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -43.94 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.2 -34.99 87.63 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 2' ' ' ILE . 27.9 pt -50.02 -33.3 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.877 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -50.41 -46.24 56.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -70.56 -42.88 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.365 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.9 mm -62.44 -34.5 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.451 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.08 -42.68 99.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.135 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -60.19 -34.82 74.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.719 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.92 -39.91 74.58 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.29 -51.74 68.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.356 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.3 p -66.65 -42.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.485 ' N ' HG13 ' A' ' 10' ' ' VAL . 30.3 t-80 -66.34 -45.03 81.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.91 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.25 -46.91 47.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.04 -36.9 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.616 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.31 -43.54 98.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.381 . . . . 0.0 110.511 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -43.53 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.233 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.22 -34.36 87.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -60.51 -41.76 95.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -64.5 -34.81 79.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.77 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -50.76 -34.31 26.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.266 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.477 ' C ' ' N ' ' A' ' 23' ' ' NH2 . 14.9 m -51.24 131.7 28.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.225 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.82 0.0 0.08 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.477 ' N ' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.027 0 O-C-N 122.514 -0.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.6 mt -52.72 -32.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.326 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -47.91 -43.29 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.26 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -67.84 -48.09 67.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.249 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 98.4 mt -59.63 -33.13 50.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -62.48 -45.84 91.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.748 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -56.14 -33.97 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.492 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.04 -36.93 73.12 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -51.87 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 11' ' ' HIS . 34.5 m -65.56 -41.77 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.52 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.487 ' N ' HG23 ' A' ' 10' ' ' VAL . 79.5 t60 -65.93 -43.23 88.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.384 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.46 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.93 -42.43 12.62 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -53.63 -36.23 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.32 . . . . 0.0 110.437 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t -62.13 -40.79 97.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.28 -43.9 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.494 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.77 -43.52 91.55 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -65.08 -37.96 89.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.564 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.56 -35.77 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -50.97 -33.76 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.365 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -49.97 -53.13 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.295 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.33 0.04 0.03 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.998 0 O-C-N 122.541 -0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -49.32 -33.35 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.997 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -50.52 -47.99 57.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.593 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -69.89 -48.86 57.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.745 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.4 -34.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.99 -44.0 97.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.64 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.26 -36.06 80.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.28 -34.57 90.27 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.14 -45.81 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.135 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.31 -45.74 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.47 -46.75 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.15 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.86 -44.24 15.3 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -50.81 -33.3 23.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.651 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.06 -43.26 95.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -63.55 -44.83 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.127 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.59 95.93 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -64.23 -39.69 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.18 -36.15 81.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.47 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.3 tp -51.62 -34.59 38.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.359 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.2 p -49.61 -56.66 9.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.037 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.83 -0.0 0.03 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.066 0 O-C-N 122.512 -0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.7 p90 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.4 -33.8 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.463 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 4' ' ' HIS . 34.7 p80 -48.97 -46.01 42.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.508 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.506 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 86.1 t60 -68.95 -48.9 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 0.0 110.498 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -33.18 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.64 -37.38 86.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -53.91 -34.75 60.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.555 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.86 92.59 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.7 mp -66.88 -44.46 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.405 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.71 -46.77 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.8 -44.87 84.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -62.6 -25.84 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.675 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.62 22.83 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -56.14 -34.9 66.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 36.4 p -60.27 -43.32 96.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -64.94 -45.83 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.224 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.47 -45.45 94.82 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -61.02 -39.09 88.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.723 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.88 -35.38 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.132 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.54 -35.57 30.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.491 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.7 p -49.89 -58.69 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.218 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.26 0.03 50.1 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.042 0 O-C-N 122.497 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.62 -33.58 11.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -50.46 -47.87 56.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -67.6 -48.71 66.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.531 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.85 -33.62 56.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.727 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.21 -43.06 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.88 74.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.38 -33.6 85.19 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 mm -63.17 -45.54 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.73 -44.91 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -65.93 -45.79 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.95 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.43 31.97 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.84 -39.27 93.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.679 0.276 . . . . 0.0 110.481 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -62.8 -43.68 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.504 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.48 -44.37 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.554 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.07 -35.07 88.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.477 ' O ' HG22 ' A' ' 21' ' ' THR . 60.3 ttt85 -59.91 -41.23 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.568 0.223 . . . . 0.0 110.883 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -62.27 -33.88 75.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.346 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -50.17 -33.3 18.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.579 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 18' ' ' ARG . 6.6 t -48.94 165.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.507 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.78 0.1 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.056 0 O-C-N 122.484 -0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 6' ' ' PHE . 21.0 tt -50.83 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -49.78 -47.86 50.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.86 -48.17 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.615 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.63 -33.49 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ILE . 65.8 t80 -63.56 -40.61 97.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.13 -34.97 75.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.0 80.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.77 -52.46 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.4 p -67.27 -41.82 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.486 ' N ' HG13 ' A' ' 10' ' ' VAL . 83.9 t60 -65.62 -47.41 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.694 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.11 -24.96 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.59 -43.57 9.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -56.2 -36.17 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.696 0.284 . . . . 0.0 110.484 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -60.74 -36.82 79.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.28 -42.44 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.361 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.16 91.88 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 21' ' ' THR . 80.7 mtp180 -62.62 -41.53 99.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.606 0.241 . . . . 0.0 110.698 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -64.28 -33.9 76.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.649 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -50.79 -37.21 41.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.339 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 18' ' ' ARG . 5.0 t -49.21 131.19 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.561 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.51 0.01 0.12 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.046 0 O-C-N 122.537 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 pt -50.58 -33.65 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -50.66 -45.96 58.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.519 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -70.13 -47.37 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.282 0.563 . . . . 0.0 110.373 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -60.71 -34.26 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.591 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -63.16 -41.89 99.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.237 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -56.12 -34.73 66.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.242 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.94 83.92 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.29 -51.41 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.799 0.333 . . . . 0.0 110.444 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' HIS . 5.1 p -66.87 -42.21 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' VAL . 27.4 m80 -67.43 -44.87 77.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.855 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.84 -37.12 20.4 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -54.95 -34.32 63.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.782 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.0 mp -64.7 -43.93 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.88 -34.43 88.59 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -59.59 -42.26 92.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.783 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -65.85 -36.13 82.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.658 0.266 . . . . 0.0 110.713 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.2 tp -55.59 -34.5 64.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.254 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -52.41 137.04 30.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.372 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.91 -0.01 12.43 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.012 0 O-C-N 122.517 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.418 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 72.6 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -50.57 -31.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.572 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 1.4 p-80 -46.34 -39.24 9.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 0.1 OUTLIER -71.92 -45.79 59.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.242 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.2 -35.12 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.08 -40.58 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -59.09 -36.9 75.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.84 -34.53 90.07 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.7 -48.22 89.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.31 -45.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -61.65 -48.14 82.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.69 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.76 -26.38 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.9 -43.78 16.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -60.81 -39.43 88.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.696 0.284 . . . . 0.0 110.503 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -63.02 -44.87 94.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.56 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.381 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.31 86.47 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -54.43 -39.91 67.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.817 0.341 . . . . 0.0 110.862 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.4 -35.67 81.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.35 -33.9 68.24 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.407 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -54.24 135.29 44.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.42 0.04 70.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 122.563 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' PHE . 96.4 mt -51.28 -34.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.408 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -50.98 -48.74 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.67 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -71.16 -51.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.102 0.477 . . . . 0.0 110.646 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.67 -33.3 44.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.709 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' ILE . 91.8 t80 -67.71 -35.12 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -51.06 -34.5 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.551 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.68 85.45 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.6 mp -63.11 -50.75 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.319 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.7 p -69.39 -44.87 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG13 ' A' ' 10' ' ' VAL . 82.8 t60 -60.76 -49.44 77.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.37 64.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.614 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 16' ' ' ILE . . . -64.04 -63.82 4.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -52.45 -32.72 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.867 0.365 . . . . 0.0 111.07 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -62.33 -35.0 77.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.768 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.3 tp -52.23 -37.73 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.58 -38.36 78.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.562 ' O ' HG22 ' A' ' 21' ' ' THR . 20.5 tpt85 -63.87 -39.91 95.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -67.14 -34.82 78.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.1 tt -58.06 -34.72 70.42 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.966 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 18' ' ' ARG . 1.6 t -48.54 -21.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.596 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.84 -76.97 0.09 OUTLIER Glycine 0 C--O 1.22 -0.779 0 CA-C-O 118.038 -1.423 . . . . 0.0 110.977 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 125.465 1.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -49.94 -31.79 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -48.67 -44.69 37.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.366 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.77 -50.85 54.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.899 0.381 . . . . 0.0 110.541 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.31 -33.95 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.408 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.33 -41.98 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.9 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -59.02 -34.5 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.12 -37.42 82.08 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.05 -51.61 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' HIS . 6.4 p -67.31 -42.87 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 54.8 t-80 -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.79 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.94 -45.81 40.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.51 -37.19 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.419 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -62.45 -43.62 98.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -43.94 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.2 -34.99 87.63 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -62.64 -41.62 99.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -66.77 -36.2 81.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.697 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 tp -50.46 -33.98 23.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.45 ' C ' ' N ' ' A' ' 23' ' ' NH2 . 18.8 m -50.07 -53.13 29.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.293 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.04 0.04 0.15 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.45 ' N ' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.053 0 O-C-N 122.48 -0.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 2' ' ' ILE . 27.9 pt -50.02 -33.3 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.877 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -50.41 -46.24 56.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -70.56 -42.88 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.365 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.9 mm -62.44 -34.5 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.451 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.08 -42.68 99.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.135 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -60.19 -34.82 74.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.719 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.92 -39.91 74.58 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.29 -51.74 68.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.356 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.3 p -66.65 -42.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.485 ' N ' HG13 ' A' ' 10' ' ' VAL . 30.3 t-80 -66.34 -45.03 81.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.91 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.25 -46.91 47.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.04 -36.9 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.616 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.31 -43.54 98.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.381 . . . . 0.0 110.511 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -43.53 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.233 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.22 -34.36 87.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.611 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.6 mt -52.72 -32.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.326 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -47.91 -43.29 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.26 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -67.84 -48.09 67.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.249 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 98.4 mt -59.63 -33.13 50.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -62.48 -45.84 91.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.748 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -56.14 -33.97 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.492 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.04 -36.93 73.12 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -51.87 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 11' ' ' HIS . 34.5 m -65.56 -41.77 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.52 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.487 ' N ' HG23 ' A' ' 10' ' ' VAL . 79.5 t60 -65.93 -43.23 88.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.384 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.46 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.93 -42.43 12.62 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -53.63 -36.23 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.32 . . . . 0.0 110.437 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t -62.13 -40.79 97.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.28 -43.9 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.494 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.77 -43.52 91.55 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.564 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -49.32 -33.35 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.997 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -50.52 -47.99 57.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.593 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -69.89 -48.86 57.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.745 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.4 -34.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.99 -44.0 97.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.64 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.26 -36.06 80.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.28 -34.57 90.27 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.14 -45.81 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.135 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.31 -45.74 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.47 -46.75 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.15 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.86 -44.24 15.3 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -50.81 -33.3 23.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.651 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.06 -43.26 95.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -63.55 -44.83 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.127 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.59 95.93 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 0.0 110.84 -179.8 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.7 p90 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.4 -33.8 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.463 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.64 ' CD2' ' N ' ' A' ' 4' ' ' HIS . 27.5 p-80 -48.97 -46.01 42.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.508 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.64 ' N ' ' CD2' ' A' ' 3' ' ' HIS . 86.1 t60 -68.95 -48.9 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 0.0 110.498 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -33.18 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.64 -37.38 86.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -53.91 -34.75 60.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.555 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.86 92.59 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.7 mp -66.88 -44.46 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.405 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.71 -46.77 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.8 -44.87 84.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -62.6 -25.84 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.675 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.62 22.83 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -56.14 -34.9 66.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 36.4 p -60.27 -43.32 96.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -64.94 -45.83 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.224 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.47 -45.45 94.82 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.723 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.62 -33.58 11.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -50.46 -47.87 56.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -67.6 -48.71 66.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.531 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.85 -33.62 56.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.727 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.21 -43.06 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.88 74.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.38 -33.6 85.19 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 mm -63.17 -45.54 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.73 -44.91 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -65.93 -45.79 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.95 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.43 31.97 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.84 -39.27 93.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.679 0.276 . . . . 0.0 110.481 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -62.8 -43.68 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.504 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.48 -44.37 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.554 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.07 -35.07 88.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.568 0.223 . . . . 0.0 110.883 -179.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 6' ' ' PHE . 21.0 tt -50.83 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -49.78 -47.86 50.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.86 -48.17 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.615 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.63 -33.49 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ILE . 65.8 t80 -63.56 -40.61 97.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.13 -34.97 75.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.0 80.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.77 -52.46 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.4 p -67.27 -41.82 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.486 ' N ' HG13 ' A' ' 10' ' ' VAL . 83.9 t60 -65.62 -47.41 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.694 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.11 -24.96 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.59 -43.57 9.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -56.2 -36.17 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.696 0.284 . . . . 0.0 110.484 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -60.74 -36.82 79.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.28 -42.44 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.361 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.16 91.88 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.606 0.241 . . . . 0.0 110.698 -179.686 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 pt -50.58 -33.65 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -50.66 -45.96 58.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.519 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -70.13 -47.37 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.282 0.563 . . . . 0.0 110.373 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -60.71 -34.26 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.591 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -63.16 -41.89 99.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.237 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -56.12 -34.73 66.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.242 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.94 83.92 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.29 -51.41 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.799 0.333 . . . . 0.0 110.444 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' HIS . 5.1 p -66.87 -42.21 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' VAL . 27.4 m80 -67.43 -44.87 77.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.855 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.84 -37.12 20.4 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -54.95 -34.32 63.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.782 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.0 mp -64.7 -43.93 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.88 -34.43 88.59 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 . . . . . 0 C--N 1.327 -0.412 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.783 -179.487 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.418 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 72.6 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -50.57 -31.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.572 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 1.4 p-80 -46.34 -39.24 9.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 4.8 m170 -71.92 -45.79 59.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.242 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.2 -35.12 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.08 -40.58 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -59.09 -36.9 75.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.84 -34.53 90.07 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.7 -48.22 89.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.31 -45.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -61.65 -48.14 82.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.69 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.76 -26.38 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.9 -43.78 16.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -60.81 -39.43 88.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.696 0.284 . . . . 0.0 110.503 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -63.02 -44.87 94.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.56 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.381 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.31 86.47 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.817 0.341 . . . . 0.0 110.862 -179.621 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' PHE . 96.4 mt -51.28 -34.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.408 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -50.98 -48.74 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.67 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -71.16 -51.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.102 0.477 . . . . 0.0 110.646 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.67 -33.3 44.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.709 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' ILE . 91.8 t80 -67.71 -35.12 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -51.06 -34.5 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.551 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.68 85.45 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.6 mp -63.11 -50.75 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.319 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.7 p -69.39 -44.87 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG13 ' A' ' 10' ' ' VAL . 82.8 t60 -60.76 -49.44 77.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.37 64.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.614 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 16' ' ' ILE . . . -64.04 -63.82 4.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -52.45 -32.72 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.867 0.365 . . . . 0.0 111.07 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -62.33 -35.0 77.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.768 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.3 tp -52.23 -37.73 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.58 -38.36 78.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 tpt85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -179.615 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -49.94 -31.79 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -48.67 -44.69 37.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.366 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.77 -50.85 54.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.899 0.381 . . . . 0.0 110.541 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.31 -33.95 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.408 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.33 -41.98 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.9 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -59.02 -34.5 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.12 -37.42 82.08 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.05 -51.61 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' HIS . 6.4 p -67.31 -42.87 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 54.8 t-80 -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.79 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.94 -45.81 40.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.51 -37.19 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.419 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -62.45 -43.62 98.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -43.94 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.2 -34.99 87.63 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 2' ' ' ILE . 27.9 pt -50.02 -33.3 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.877 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -50.41 -46.24 56.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -70.56 -42.88 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.179 0.514 . . . . 0.0 110.365 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.9 mm -62.44 -34.5 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.451 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.08 -42.68 99.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.135 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -60.19 -34.82 74.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.719 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.92 -39.91 74.58 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.29 -51.74 68.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.356 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.3 p -66.65 -42.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.485 ' N ' HG13 ' A' ' 10' ' ' VAL . 30.3 t-80 -66.34 -45.03 81.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.91 67.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.569 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.25 -46.91 47.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.04 -36.9 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.294 . . . . 0.0 110.616 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.31 -43.54 98.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.381 . . . . 0.0 110.511 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -43.53 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.233 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.22 -34.36 87.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -60.51 -41.76 95.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -64.5 -34.81 79.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.77 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 tp -50.76 -34.31 26.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.266 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.477 ' C ' ' N ' ' A' ' 23' ' ' NH2 . 14.9 m -51.24 131.7 28.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.225 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.82 0.0 0.08 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.477 ' N ' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.027 0 O-C-N 122.514 -0.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.6 mt -52.72 -32.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.326 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -47.91 -43.29 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.26 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -67.84 -48.09 67.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.249 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 98.4 mt -59.63 -33.13 50.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -62.48 -45.84 91.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.748 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -56.14 -33.97 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.492 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.04 -36.93 73.12 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -51.87 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 11' ' ' HIS . 34.5 m -65.56 -41.77 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.52 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.487 ' N ' HG23 ' A' ' 10' ' ' VAL . 79.5 t60 -65.93 -43.23 88.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.384 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.46 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.93 -42.43 12.62 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -53.63 -36.23 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.32 . . . . 0.0 110.437 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t -62.13 -40.79 97.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.28 -43.9 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.494 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.77 -43.52 91.55 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -65.08 -37.96 89.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.564 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.56 -35.77 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -50.97 -33.76 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.365 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -49.97 -53.13 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.295 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.33 0.04 0.03 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.998 0 O-C-N 122.541 -0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -49.32 -33.35 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.997 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -50.52 -47.99 57.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.593 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -69.89 -48.86 57.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.961 0.41 . . . . 0.0 110.745 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.4 -34.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.99 -44.0 97.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.64 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.26 -36.06 80.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.691 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.28 -34.57 90.27 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.14 -45.81 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.135 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.31 -45.74 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.47 -46.75 75.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.15 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.86 -44.24 15.3 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -50.81 -33.3 23.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.651 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.06 -43.26 95.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -63.55 -44.83 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.127 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.59 95.93 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -64.23 -39.69 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.18 -36.15 81.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.47 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.3 tp -51.62 -34.59 38.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.359 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.2 p -49.61 -56.66 9.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.037 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.83 -0.0 0.03 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.066 0 O-C-N 122.512 -0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.7 p90 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.4 -33.8 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.463 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.64 ' CD2' ' N ' ' A' ' 4' ' ' HIS . 27.5 p-80 -48.97 -46.01 42.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.508 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.64 ' N ' ' CD2' ' A' ' 3' ' ' HIS . 86.1 t60 -68.95 -48.9 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 0.0 110.498 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.29 -33.18 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.64 -37.38 86.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -53.91 -34.75 60.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.555 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.86 92.59 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.7 mp -66.88 -44.46 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 110.405 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.71 -46.77 81.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.8 -44.87 84.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -62.6 -25.84 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.675 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.51 -36.62 22.83 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -56.14 -34.9 66.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.314 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 36.4 p -60.27 -43.32 96.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.564 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -64.94 -45.83 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.224 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.47 -45.45 94.82 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -61.02 -39.09 88.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.723 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.88 -35.38 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.132 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp -50.54 -35.57 30.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.491 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.7 p -49.89 -58.69 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.218 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.26 0.03 50.1 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.042 0 O-C-N 122.497 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 mm -50.62 -33.58 11.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -50.46 -47.87 56.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -67.6 -48.71 66.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.531 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.85 -33.62 56.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.727 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.21 -43.06 99.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.88 74.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.38 -33.6 85.19 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 mm -63.17 -45.54 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.73 -44.91 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -65.93 -45.79 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.95 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.655 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.43 31.97 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.84 -39.27 93.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.679 0.276 . . . . 0.0 110.481 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -62.8 -43.68 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.504 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.48 -44.37 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.554 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.07 -35.07 88.5 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.477 ' O ' HG22 ' A' ' 21' ' ' THR . 60.3 ttt85 -59.91 -41.23 91.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.568 0.223 . . . . 0.0 110.883 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -62.27 -33.88 75.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.346 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -50.17 -33.3 18.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.579 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 18' ' ' ARG . 6.6 t -48.94 165.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.507 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.78 0.1 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.056 0 O-C-N 122.484 -0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 6' ' ' PHE . 21.0 tt -50.83 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.547 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -49.78 -47.86 50.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -69.86 -48.17 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.615 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.63 -33.49 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ILE . 65.8 t80 -63.56 -40.61 97.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.13 -34.97 75.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.0 80.65 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.77 -52.46 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.4 p -67.27 -41.82 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.486 ' N ' HG13 ' A' ' 10' ' ' VAL . 83.9 t60 -65.62 -47.41 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.694 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.11 -24.96 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.59 -43.57 9.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -56.2 -36.17 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.696 0.284 . . . . 0.0 110.484 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 m -60.74 -36.82 79.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.659 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.28 -42.44 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.361 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.16 91.88 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' HG22 ' A' ' 21' ' ' THR . 80.7 mtp180 -62.62 -41.53 99.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.606 0.241 . . . . 0.0 110.698 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -64.28 -33.9 76.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.649 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -50.79 -37.21 41.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.339 -179.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 18' ' ' ARG . 5.0 t -49.21 131.19 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.561 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.51 0.01 0.12 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.046 0 O-C-N 122.537 -0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 pt -50.58 -33.65 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -50.66 -45.96 58.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.519 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -70.13 -47.37 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.282 0.563 . . . . 0.0 110.373 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -60.71 -34.26 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.591 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -63.16 -41.89 99.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.237 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -56.12 -34.73 66.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.242 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.94 83.92 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.2 mm -62.29 -51.41 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.799 0.333 . . . . 0.0 110.444 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' HIS . 5.1 p -66.87 -42.21 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.828 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' VAL . 27.4 m80 -67.43 -44.87 77.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.601 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.43 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.855 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.84 -37.12 20.4 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.9 ttm-85 -54.95 -34.32 63.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.782 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 16' ' ' ILE . 2.0 mp -64.7 -43.93 96.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.88 -34.43 88.59 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -59.59 -42.26 92.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.783 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -65.85 -36.13 82.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.658 0.266 . . . . 0.0 110.713 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.2 tp -55.59 -34.5 64.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.254 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -52.41 137.04 30.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.372 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.91 -0.01 12.43 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.012 0 O-C-N 122.517 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.418 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 72.6 t80 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.6 pt -50.57 -31.02 8.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.719 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.572 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 1.4 p-80 -46.34 -39.24 9.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 4.8 m170 -71.92 -45.79 59.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.242 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.2 -35.12 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.08 -40.58 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.724 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -59.09 -36.9 75.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.84 -34.53 90.07 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.7 -48.22 89.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.31 -45.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -61.65 -48.14 82.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.69 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.76 -26.38 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.642 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.9 -43.78 16.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -60.81 -39.43 88.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.696 0.284 . . . . 0.0 110.503 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -63.02 -44.87 94.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.56 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.381 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.31 86.47 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -54.43 -39.91 67.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.817 0.341 . . . . 0.0 110.862 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.4 -35.67 81.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.2 mt -57.35 -33.9 68.24 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.407 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -54.24 135.29 44.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.42 0.04 70.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 122.563 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' PHE . 96.4 mt -51.28 -34.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.408 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -50.98 -48.74 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.67 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -71.16 -51.89 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.102 0.477 . . . . 0.0 110.646 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.67 -33.3 44.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.709 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' ILE . 91.8 t80 -67.71 -35.12 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -51.06 -34.5 30.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.551 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.68 85.45 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.6 mp -63.11 -50.75 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.319 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 11' ' ' HIS . 7.7 p -69.39 -44.87 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG13 ' A' ' 10' ' ' VAL . 82.8 t60 -60.76 -49.44 77.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.989 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.37 64.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.614 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 16' ' ' ILE . . . -64.04 -63.82 4.1 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -52.45 -32.72 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.867 0.365 . . . . 0.0 111.07 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -62.33 -35.0 77.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.768 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.3 tp -52.23 -37.73 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.58 -38.36 78.47 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.562 ' O ' HG22 ' A' ' 21' ' ' THR . 20.5 tpt85 -63.87 -39.91 95.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -67.14 -34.82 78.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.1 tt -58.06 -34.72 70.42 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.966 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 18' ' ' ARG . 1.6 t -48.54 -21.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.596 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.84 -76.97 0.09 OUTLIER Glycine 0 C--O 1.22 -0.779 0 CA-C-O 118.038 -1.423 . . . . 0.0 110.977 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 125.465 1.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -49.94 -31.79 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -48.67 -44.69 37.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.366 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.77 -50.85 54.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.899 0.381 . . . . 0.0 110.541 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.31 -33.95 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.408 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -63.33 -41.98 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 110.9 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -59.02 -34.5 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.12 -37.42 82.08 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.05 -51.61 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 11' ' ' HIS . 6.4 p -67.31 -42.87 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.447 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.478 ' N ' HG13 ' A' ' 10' ' ' VAL . 54.8 t-80 -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.79 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.556 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.94 -45.81 40.29 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.51 -37.19 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.419 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -62.45 -43.62 98.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.578 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -43.94 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.2 -34.99 87.63 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -62.64 -41.62 99.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -66.77 -36.2 81.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.697 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 tp -50.46 -33.98 23.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.45 ' C ' ' N ' ' A' ' 23' ' ' NH2 . 18.8 m -50.07 -53.13 29.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.293 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.04 0.04 0.15 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.45 ' N ' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.053 0 O-C-N 122.48 -0.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_