data_1dsk_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 1dsk _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.5 2.044 0 CA-C-O 120.898 0.38 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.508 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -75.34 13.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-O 122.106 0.955 . . . . 0.0 112.996 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' N ' HE21 ' A' ' 65' ' ' GLN . 10.7 mmm-85 -131.4 -47.05 0.98 Allowed 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -55.69 -56.11 13.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.2 -34.44 76.46 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.327 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.643 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -63.15 -19.16 64.21 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.486 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.9 -28.74 66.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' HD13 ' A' ' 67' ' ' LEU . 5.8 mp -86.51 -49.37 7.62 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.73 -29.5 66.76 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 117.722 -1.591 . . . . 0.0 107.96 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -41.89 60.28 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.988 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 22.2 mm -65.49 -49.63 77.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 113.799 -1.546 . . . . 0.0 114.724 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -68.26 -20.05 64.77 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.913 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -83.88 -47.49 11.01 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -58.55 -63.53 1.25 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.991 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.4 mt . . . . . 0 N--CA 1.497 1.899 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.76 -179.682 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp . . . . . 0 N--CA 1.504 2.274 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.552 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -64.68 13.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' A' ' 60' ' ' ILE . 20.8 mtp-105 -135.3 -37.63 0.77 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.59 -51.26 65.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.181 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.55 -35.29 70.13 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.362 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.698 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.3 mp0 -61.59 -20.97 63.91 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.808 -1.996 . . . . 0.0 113.016 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -78.55 -29.85 46.57 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.145 -1.022 . . . . 0.0 111.855 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.47 -44.15 65.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.1 -37.35 81.08 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -51.43 -51.53 54.04 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.1 mt -60.83 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 C-N-CA 119.051 -1.06 . . . . 0.0 112.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -65.03 -24.88 67.61 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -94.36 -37.75 11.32 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -38.91 78.0 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.5 mt . . . . . 0 N--CA 1.49 1.567 0 C-N-CA 118.495 -1.282 . . . . 0.0 108.175 179.479 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 62' ' ' ARG . 45.8 mm . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 121.496 0.665 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -75.76 27.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.901 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.579 ' N ' HE21 ' A' ' 65' ' ' GLN . 2.9 tpt180 -144.42 -49.96 0.28 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.07 -50.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.829 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.66 -23.1 61.62 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 118.797 -1.161 . . . . 0.0 113.149 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.4 mp0 -58.81 -19.65 43.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.705 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.92 -30.48 68.96 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.683 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -44.2 20.45 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.5 -34.06 74.86 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 112.974 -1.921 . . . . 0.0 107.311 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.78 -40.97 76.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 113.854 -1.521 . . . . 0.0 108.031 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.6 -44.88 76.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.695 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -67.57 -31.09 70.92 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.301 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -85.75 -39.92 16.63 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -67.6 -48.53 66.57 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 116.464 -2.095 . . . . 0.0 109.575 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 N--CA 1.493 1.688 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.456 179.742 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 N--CA 1.502 2.132 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.532 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -64.36 6.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' N ' HE21 ' A' ' 65' ' ' GLN . 25.8 ttm-85 -132.95 -45.24 0.86 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mm -56.59 -46.64 82.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.25 -31.0 63.85 Favored 'General case' 0 N--CA 1.505 2.32 0 CA-C-O 123.276 1.512 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.622 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -59.45 -17.5 31.7 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.817 -1.992 . . . . 0.0 112.068 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.07 -27.86 69.68 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 67' ' ' LEU . 5.5 mp -88.2 -42.94 11.98 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.587 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.58 -24.12 67.0 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.293 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -48.49 48.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 125.321 1.638 . . . . 0.0 106.779 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.482 HD13 ' H ' ' A' ' 70' ' ' ILE . 3.6 mp -54.41 -56.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 114.315 -1.311 . . . . 0.0 113.585 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -54.59 -40.5 68.9 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -81.85 -22.63 36.86 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.867 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -72.26 -48.6 41.38 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.375 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.493 1.712 0 CA-C-N 112.909 -1.951 . . . . 0.0 111.015 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.54 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -71.19 7.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.422 ' N ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.24 -47.05 1.1 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 179.281 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.31 -52.28 53.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 C-N-CA 118.786 -1.166 . . . . 0.0 112.152 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.35 -30.41 71.55 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.595 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.666 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -61.75 -21.45 64.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.127 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.55 -26.52 63.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -86.09 -47.99 9.03 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.2 mt -56.89 -34.97 68.43 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.254 -1.378 . . . . 0.0 107.713 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -50.83 -41.55 57.71 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.803 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.3 -46.68 70.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 113.932 -1.485 . . . . 0.0 112.763 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.64 -26.35 65.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.05 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -38.46 12.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -66.99 -55.39 14.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 116.863 -1.935 . . . . 0.0 107.69 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.494 1.743 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.065 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.429 ' C ' ' H ' ' A' ' 62' ' ' ARG . 7.1 tp . . . . . 0 N--CA 1.502 2.158 0 CA-C-O 121.727 0.775 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.52 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -67.41 14.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.521 ' N ' HE21 ' A' ' 65' ' ' GLN . 20.4 tpp85 -135.98 -44.62 0.65 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -58.98 -53.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.45 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.8 mm? -60.1 -31.61 70.2 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 117.531 -1.668 . . . . 0.0 111.804 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.678 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.6 mp0 -58.16 -23.12 54.18 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.661 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.39 -27.75 60.79 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.852 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.97 -45.73 11.21 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.7 mt -61.56 -37.77 85.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -40.4 -43.12 1.72 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 124.779 1.299 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.07 -55.8 17.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 118.148 -1.421 . . . . 0.0 112.513 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -75.55 -7.71 54.89 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.328 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 m-30 -102.88 -24.07 13.71 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -89.32 -54.94 3.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 117.187 -1.805 . . . . 0.0 108.493 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 62' ' ' ARG . 47.4 mm . . . . . 0 N--CA 1.504 2.256 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -75.55 26.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.716 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.585 ' N ' HE21 ' A' ' 65' ' ' GLN . 3.3 tpt180 -143.65 -51.15 0.33 Allowed 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -55.12 -53.45 34.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.872 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.2 mm? -68.45 -28.17 66.81 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.272 -1.771 . . . . 0.0 111.878 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.635 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.5 mp0 -59.84 -25.76 65.27 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.193 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -67.26 -27.73 67.45 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.525 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.04 -44.61 11.44 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 33.5 mt -58.75 -29.25 66.61 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.182 -1.407 . . . . 0.0 108.355 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -46.18 -46.87 17.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 125.179 1.549 . . . . 0.0 108.371 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.433 HD13 ' H ' ' A' ' 70' ' ' ILE . 4.2 mp -68.74 -51.98 40.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.47 -25.48 67.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -92.96 -38.21 11.8 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -71.51 -37.13 71.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 115.641 -2.424 . . . . 0.0 108.646 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.4 mt . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.448 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.9 mp . . . . . 0 N--CA 1.503 2.194 0 CA-C-O 122.396 1.093 . . . . 0.0 109.759 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.565 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -66.65 15.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.485 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.4 tpm_? -133.37 -40.61 0.89 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.44 -55.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.141 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.64 -30.22 68.57 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 122.647 1.213 . . . . 0.0 110.933 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.646 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -61.56 -18.0 57.39 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 113.277 -1.783 . . . . 0.0 112.285 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.0 -29.06 66.04 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.76 -49.53 8.38 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 15.1 mt -58.76 -30.33 67.45 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 117.16 -1.816 . . . . 0.0 108.855 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -47.33 -48.41 25.41 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 124.762 1.289 . . . . 0.0 108.524 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.49 -50.48 80.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 112.916 -1.947 . . . . 0.0 113.081 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -64.34 -26.94 68.7 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 114.463 -1.244 . . . . 0.0 113.482 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 12.0 m-30 -83.83 -37.37 22.6 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -68.19 -46.61 70.17 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 116.992 -1.883 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.6 mt . . . . . 0 N--CA 1.495 1.821 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.973 179.779 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 62' ' ' ARG . 9.0 tp . . . . . 0 N--CA 1.5 2.027 0 CA-C-O 121.22 0.533 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 HD11 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.04 17.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.46 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.554 ' N ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -139.8 -41.06 0.44 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.72 -46.33 96.15 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.785 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.54 -33.42 71.13 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 122.687 1.232 . . . . 0.0 111.84 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.651 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -53.61 -22.88 9.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.013 -1.903 . . . . 0.0 113.861 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -71.8 -29.84 64.88 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.983 0.897 . . . . 0.0 110.776 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -80.05 -45.01 19.06 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.49 -37.64 81.75 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 112.515 -2.129 . . . . 0.0 107.182 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -52.45 -48.29 65.92 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 113.018 -1.901 . . . . 0.0 107.179 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.395 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -68.83 -29.53 67.88 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.559 -1.256 . . . . 0.0 113.437 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.42 -37.78 14.56 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -65.69 -45.72 81.72 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 118.661 -1.215 . . . . 0.0 108.269 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 C--N 1.304 -1.396 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.614 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp . . . . . 0 N--CA 1.505 2.283 0 CA-C-O 121.563 0.697 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.474 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -71.92 24.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 114.447 -1.251 . . . . 0.0 114.134 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.577 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.3 mtp180 -142.84 -37.66 0.37 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.31 -51.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.9 -31.37 68.55 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 118.134 -1.427 . . . . 0.0 110.515 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.649 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.7 mp0 -57.83 -20.23 34.58 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.928 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -68.63 -31.71 71.05 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.653 -0.819 . . . . 0.0 108.847 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.88 -45.65 16.47 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.71 -33.52 71.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.512 -1.676 . . . . 0.0 107.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.18 -41.87 72.48 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.24 -48.12 75.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -62.78 -29.03 70.39 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 113.746 -1.57 . . . . 0.0 112.942 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -90.33 -38.37 13.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -61.51 -44.34 97.25 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 117.894 -1.522 . . . . 0.0 108.718 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt . . . . . 0 C--N 1.303 -1.446 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.445 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.501 2.113 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.5 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.1 pp -67.38 6.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -129.68 -41.85 1.32 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mt -60.17 -54.24 37.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 C-N-CA 119.091 -1.044 . . . . 0.0 111.967 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.24 -30.74 71.79 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 117.834 -1.546 . . . . 0.0 109.024 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -64.12 -17.42 63.44 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.409 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -69.23 -26.46 64.81 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -88.63 -48.0 7.87 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.35 -29.24 68.78 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 117.206 -1.798 . . . . 0.0 108.143 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -49.77 -44.55 48.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.656 1.223 . . . . 0.0 107.981 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 mt -65.16 -47.3 88.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.53 -29.21 66.76 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.736 -0.786 . . . . 0.0 112.625 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -82.82 -35.91 25.99 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -60.93 2.38 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' C ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -67.33 -9.2 9.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 C-N-CA 119.285 -0.966 . . . . 0.0 113.164 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 25.6 mtp85 -116.93 -43.82 2.85 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -50.82 -48.53 28.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.377 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.4 mt -76.89 -33.48 57.81 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.953 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.619 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -62.28 -16.87 56.54 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 112.863 -1.971 . . . . 0.0 114.168 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 24.4 mt-30 -69.6 -26.21 64.34 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -85.97 -51.91 6.05 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.945 -2.242 . . . . 0.0 104.945 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.3 -32.0 55.36 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.366 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -50.07 -44.43 51.72 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 113.9 -1.5 . . . . 0.0 108.269 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.13 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.782 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -68.36 -33.73 74.81 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.636 -0.825 . . . . 0.0 112.386 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.51 -35.18 25.04 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -67.09 -50.69 60.76 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 118.075 -1.45 . . . . 0.0 109.671 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 179.598 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.2 mm . . . . . 0 N--CA 1.5 2.049 0 CA-C-O 121.158 0.504 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.473 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -66.84 9.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.52 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.9 tpp85 -136.68 -39.85 0.63 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.2 -49.8 82.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.706 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.78 -33.31 75.56 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 122.89 1.329 . . . . 0.0 112.176 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.593 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -54.44 -20.48 7.61 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.177 -1.829 . . . . 0.0 113.817 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.29 -32.97 67.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 122.206 1.003 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -74.11 -45.82 46.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.68 -38.27 89.71 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 112.343 -2.208 . . . . 0.0 106.202 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.3 -53.11 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.98 -38.97 82.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 C-N-CA 118.911 -1.116 . . . . 0.0 113.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -68.19 -30.56 69.68 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.002 -1.079 . . . . 0.0 113.352 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -37.77 14.42 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -66.59 -43.32 85.2 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.033 -1.44 . . . . 0.0 108.264 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.3 mt . . . . . 0 N--CA 1.493 1.693 0 C-N-CA 118.519 -1.272 . . . . 0.0 107.828 179.558 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.408 ' C ' ' H ' ' A' ' 62' ' ' ARG . 9.3 tp . . . . . 0 N--CA 1.5 2.034 0 CA-C-O 121.137 0.494 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.494 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -71.62 10.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.511 ' N ' HE21 ' A' ' 65' ' ' GLN . 1.1 mtt85 -136.99 -35.51 0.7 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.45 -46.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.341 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.98 -33.21 73.31 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.833 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.639 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -51.77 -24.32 5.78 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.5 -1.682 . . . . 0.0 113.11 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -71.65 -32.65 68.14 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.45 -0.9 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.68 -44.17 28.84 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.39 -34.39 77.63 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.054 -1.885 . . . . 0.0 107.171 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 78.3 t80 -54.57 -56.85 14.65 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 mt -60.95 -41.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -68.32 -31.71 71.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.198 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -85.91 -35.89 20.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 3.7 tpp180 -62.32 -66.46 0.54 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.185 -1.825 . . . . 0.0 106.497 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.881 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.434 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.9 mp . . . . . 0 N--CA 1.5 2.045 0 CA-C-O 120.835 0.35 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -69.53 15.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.636 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.483 ' N ' HE21 ' A' ' 65' ' ' GLN . 38.9 mmt180 -134.0 -46.52 0.79 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.58 -50.87 75.85 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.484 -0.886 . . . . 0.0 112.619 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.14 -25.03 64.18 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 117.685 -1.606 . . . . 0.0 112.483 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.579 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -64.26 -16.55 62.31 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -75.71 -34.99 60.39 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.03 0.919 . . . . 0.0 112.056 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -69.79 -42.83 73.24 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.95 -38.64 79.58 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -50.51 -46.54 57.25 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 117.861 -1.536 . . . . 0.0 107.613 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -73.74 -46.95 45.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -67.99 -18.69 64.8 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.735 -0.786 . . . . 0.0 112.482 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -97.99 -47.47 5.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -64.15 -40.24 95.73 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 116.902 -1.919 . . . . 0.0 109.03 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 179.339 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 62' ' ' ARG . 43.8 mm . . . . . 0 N--CA 1.504 2.259 0 CA-C-O 120.458 0.171 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CD1' ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -68.62 17.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -179.691 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.544 ' N ' HE21 ' A' ' 65' ' ' GLN . 39.7 mtt180 -143.63 -40.32 0.3 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -45.04 92.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.544 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.78 -33.31 40.66 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.304 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.608 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -51.51 -27.57 11.04 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.336 -1.756 . . . . 0.0 114.722 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.25 -30.74 66.69 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.857 0.837 . . . . 0.0 112.101 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.04 -43.28 24.58 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.44 -36.98 85.54 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.153 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.8 -50.28 61.1 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.751 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.83 -44.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.613 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -70.75 -15.28 62.67 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.592 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -97.78 -40.14 8.69 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.85 -64.13 0.93 Allowed 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.447 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt . . . . . 0 N--CA 1.492 1.655 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.357 -179.519 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.504 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -63.67 0.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.28 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -127.96 -35.38 2.07 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.58 -47.93 90.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 pp -90.44 -11.28 40.88 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 116.769 -1.972 . . . . 0.0 113.7 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.504 ' NE2' ' C ' ' A' ' 61' ' ' ILE . 1.9 mp0 -58.92 -18.94 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.446 0.641 . . . . 0.0 111.978 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.65 -30.24 65.53 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.832 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.79 -44.8 16.48 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.247 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 69' ' ' PHE . 3.4 pp -72.12 -24.42 61.47 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 115.253 -2.579 . . . . 0.0 108.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.456 ' N ' HD13 ' A' ' 68' ' ' LEU . 24.8 t80 -51.04 -51.21 55.47 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 mt -54.17 -54.99 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 113.556 -1.656 . . . . 0.0 113.203 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -54.41 -34.36 61.16 Favored 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 119.246 -0.982 . . . . 0.0 113.364 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.37 -34.08 28.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -42.48 89.08 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.753 -1.567 . . . . 0.0 107.075 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.38 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.425 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp . . . . . 0 N--CA 1.501 2.103 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -72.31 17.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -179.496 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.469 ' N ' HE21 ' A' ' 65' ' ' GLN . 85.6 mtt180 -135.76 -47.6 0.68 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mt -56.13 -52.4 51.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.778 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.19 -30.72 70.59 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 117.79 -1.564 . . . . 0.0 111.384 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.571 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.2 mp0 -68.26 -20.32 64.79 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 113.326 -1.761 . . . . 0.0 114.049 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.38 -34.21 58.88 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.991 0.9 . . . . 0.0 110.663 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.97 -50.26 13.61 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.855 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 65' ' ' GLN . 3.7 pp -65.56 -27.77 68.67 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 114.632 -2.827 . . . . 0.0 108.821 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.57 -49.37 72.91 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 117.79 -1.564 . . . . 0.0 107.89 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.4 mt -66.87 -40.08 85.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.634 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -66.32 -29.24 69.4 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.943 -1.103 . . . . 0.0 112.711 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -41.74 11.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -58.42 -61.46 2.57 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.2 mt . . . . . 0 N--CA 1.496 1.836 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 179.552 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 62' ' ' ARG . 2.7 tt . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -70.83 12.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.512 ' N ' HE21 ' A' ' 65' ' ' GLN . 34.3 mtp-105 -135.35 -41.81 0.71 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.83 -48.91 86.78 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.41 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.9 -31.49 72.75 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 117.94 -1.504 . . . . 0.0 111.871 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.638 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.6 mp0 -57.22 -21.6 34.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.354 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.19 -27.36 61.59 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.178 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -83.04 -41.14 19.01 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.4 -37.13 86.09 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 105.604 -1.998 . . . . 0.0 105.604 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.96 -41.73 62.33 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 113.81 -1.541 . . . . 0.0 107.011 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.66 -53.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -70.73 -11.54 61.01 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 117.759 -1.577 . . . . 0.0 114.425 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -105.1 -30.08 9.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.89 -47.34 9.75 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.053 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.499 2.0 0 C-N-CA 118.591 -1.244 . . . . 0.0 110.363 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.6 mm . . . . . 0 N--CA 1.503 2.189 0 CA-C-O 121.0 0.428 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.46 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -65.83 14.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.54 ' N ' HE21 ' A' ' 65' ' ' GLN . 51.0 ttt180 -137.83 -38.15 0.58 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.05 -48.68 87.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -32.88 74.47 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.201 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.599 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -56.52 -20.92 22.77 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 113.223 -1.808 . . . . 0.0 114.209 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.57 -31.4 65.21 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.093 0.949 . . . . 0.0 111.497 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -77.34 -46.18 23.72 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.51 -39.13 89.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 112.465 -2.152 . . . . 0.0 106.683 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.39 -48.64 62.53 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 113.768 -1.56 . . . . 0.0 107.922 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.47 -43.59 87.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-N 114.347 -1.297 . . . . 0.0 112.857 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -65.45 -31.26 72.25 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -94.39 -33.26 13.22 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.39 -49.28 67.37 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 117.145 -1.822 . . . . 0.0 106.086 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.489 1.49 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.576 179.71 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 122.161 0.982 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 tp -53.34 -32.88 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.327 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.508 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -75.34 13.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-O 122.106 0.955 . . . . 0.0 112.996 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' N ' HE21 ' A' ' 65' ' ' GLN . 10.7 mmm-85 -131.4 -47.05 0.98 Allowed 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -55.69 -56.11 13.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.2 -34.44 76.46 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.327 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.643 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -63.15 -19.16 64.21 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.486 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.9 -28.74 66.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' N ' HD13 ' A' ' 67' ' ' LEU . 5.8 mp -86.51 -49.37 7.62 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.73 -29.5 66.76 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 117.722 -1.591 . . . . 0.0 107.96 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -41.89 60.28 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.988 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 22.2 mm -65.49 -49.63 77.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 113.799 -1.546 . . . . 0.0 114.724 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -68.26 -20.05 64.77 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.913 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -83.88 -47.49 11.01 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.489 ' HE ' ' CZ ' ' A' ' 77' ' ' ARG . 78.4 ttt180 -58.55 -63.53 1.25 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.991 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.4 mt -54.8 -25.02 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.76 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 77' ' ' ARG . . . -75.36 -63.77 2.43 Favored Glycine 0 N--CA 1.486 2.007 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.7 m -55.47 -5.79 0.15 Allowed 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.489 ' CZ ' ' HE ' ' A' ' 73' ' ' ARG . 22.1 mtt-85 -84.8 -23.5 29.1 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 113.485 -1.689 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -21.78 1.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.472 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 t -163.34 35.28 0.09 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.023 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 34.53 60.46 0.6 Allowed 'General case' 0 N--CA 1.507 2.402 0 CA-C-O 123.508 1.623 . . . . 0.0 111.995 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' VAL . 1.2 mp -58.3 -20.59 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 CA-C-N 113.327 -1.761 . . . . 0.0 112.708 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -35.15 -20.8 0.01 OUTLIER Glycine 0 N--CA 1.502 3.051 0 CA-C-N 113.435 -1.711 . . . . 0.0 116.664 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.2 t -61.56 -40.0 85.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.73 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 83' ' ' VAL . 7.4 t 141.07 -30.05 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.08 0 O-C-N 125.413 1.695 . . . . 0.0 110.717 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -59.73 86.69 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.456 -0.897 . . . . 0.0 113.243 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.504 2.231 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.453 179.758 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.205 0.526 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp -50.51 -49.56 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.552 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -64.68 13.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.465 ' H ' ' C ' ' A' ' 60' ' ' ILE . 20.8 mtp-105 -135.3 -37.63 0.77 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.59 -51.26 65.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.181 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.55 -35.29 70.13 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.362 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.698 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.3 mp0 -61.59 -20.97 63.91 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.808 -1.996 . . . . 0.0 113.016 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -78.55 -29.85 46.57 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.145 -1.022 . . . . 0.0 111.855 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.47 -44.15 65.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.1 -37.35 81.08 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -51.43 -51.53 54.04 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.1 mt -60.83 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 C-N-CA 119.051 -1.06 . . . . 0.0 112.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -65.03 -24.88 67.61 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' SG ' ' A' ' 76' ' ' CYS . 32.6 t80 -94.36 -37.75 11.32 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -38.91 78.0 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.5 mt -79.54 -43.45 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 118.495 -1.282 . . . . 0.0 108.175 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.94 -53.77 34.94 Favored Glycine 0 N--CA 1.494 2.545 0 C-N-CA 120.86 -0.686 . . . . 0.0 114.038 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' A' ' 72' ' ' PHE . 83.7 m -76.37 12.6 1.17 Allowed 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 116.023 1.861 . . . . 0.0 116.023 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -96.64 -40.5 8.98 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.52 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CG ' ' N ' ' A' ' 79' ' ' SER . 2.2 p80 -31.44 -39.79 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 O-C-N 124.8 1.312 . . . . 0.0 114.042 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 73.7 m -146.76 28.86 1.03 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.719 0.771 . . . . 0.0 109.062 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 43.41 70.12 0.34 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 124.153 1.93 . . . . 0.0 113.772 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -84.7 -7.8 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-N 111.899 -2.41 . . . . 0.0 110.428 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.81 46.63 0.02 OUTLIER Glycine 0 N--CA 1.496 2.677 0 C-N-CA 118.27 -1.919 . . . . 0.0 117.372 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.41 -20.3 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 CA-C-O 122.289 1.042 . . . . 0.0 111.077 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -113.17 19.12 17.41 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.924 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 85.69 1.69 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 105.982 -1.858 . . . . 0.0 105.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 . . . . . 0 N--CA 1.503 2.188 0 CA-C-N 112.687 -2.051 . . . . 0.0 109.747 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.507 0.67 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 62' ' ' ARG . 45.8 mm -53.65 -40.93 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-O 121.496 0.665 . . . . 0.0 109.216 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -75.76 27.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.901 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.579 ' N ' HE21 ' A' ' 65' ' ' GLN . 2.9 tpt180 -144.42 -49.96 0.28 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.07 -50.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.829 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.66 -23.1 61.62 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 118.797 -1.161 . . . . 0.0 113.149 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.4 mp0 -58.81 -19.65 43.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.705 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.92 -30.48 68.96 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.683 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -44.2 20.45 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.5 -34.06 74.86 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 112.974 -1.921 . . . . 0.0 107.311 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.78 -40.97 76.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 113.854 -1.521 . . . . 0.0 108.031 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.6 -44.88 76.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.695 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -67.57 -31.09 70.92 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.301 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.434 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 51.7 t80 -85.75 -39.92 16.63 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -67.6 -48.53 66.57 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 116.464 -2.095 . . . . 0.0 109.575 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.33 -41.09 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.456 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.74 -56.69 11.91 Favored Glycine 0 N--CA 1.494 2.525 0 C-N-CA 119.657 -1.259 . . . . 0.0 114.636 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.434 ' SG ' ' CZ ' ' A' ' 72' ' ' PHE . 85.0 m -59.55 9.47 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 119.288 3.07 . . . . 0.0 119.288 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -90.82 -29.5 17.54 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.515 ' CG ' ' N ' ' A' ' 79' ' ' SER . 4.9 p80 -55.0 -45.71 75.1 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 118.03 -1.468 . . . . 0.0 109.426 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.515 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 3.6 m -171.75 40.31 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.121 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.412 ' HB3' ' HB ' ' A' ' 83' ' ' VAL . 21.9 ttt180 44.66 51.93 7.97 Favored 'General case' 0 N--CA 1.509 2.476 0 CA-C-O 122.713 1.244 . . . . 0.0 109.938 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.444 ' HA ' ' NE2' ' A' ' 78' ' ' HIS . 37.2 mm 43.18 42.32 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 CA-C-O 125.115 2.388 . . . . 0.0 109.697 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.51 61.85 3.95 Favored Glycine 0 N--CA 1.494 2.502 0 CA-C-N 110.486 -3.052 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 7.6 p -20.94 -51.67 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.2 m -132.38 -46.78 0.9 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 113.304 -1.771 . . . . 0.0 109.71 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -73.14 79.44 1.26 Allowed 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.828 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 116.582 -1.675 . . . . 0.0 110.767 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.256 0.551 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm -43.16 -47.51 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.491 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.532 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -64.36 6.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' N ' HE21 ' A' ' 65' ' ' GLN . 25.8 ttm-85 -132.95 -45.24 0.86 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mm -56.59 -46.64 82.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.25 -31.0 63.85 Favored 'General case' 0 N--CA 1.505 2.32 0 CA-C-O 123.276 1.512 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.622 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -59.45 -17.5 31.7 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.817 -1.992 . . . . 0.0 112.068 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.07 -27.86 69.68 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 67' ' ' LEU . 5.5 mp -88.2 -42.94 11.98 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.587 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.58 -24.12 67.0 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.293 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -48.49 48.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 125.321 1.638 . . . . 0.0 106.779 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.482 HD13 ' H ' ' A' ' 70' ' ' ILE . 3.6 mp -54.41 -56.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 114.315 -1.311 . . . . 0.0 113.585 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -54.59 -40.5 68.9 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -81.85 -22.63 36.86 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.867 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -72.26 -48.6 41.38 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.375 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.88 -48.39 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-N 112.909 -1.951 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.79 46.45 Favored Glycine 0 N--CA 1.5 2.905 0 CA-C-O 122.918 1.288 . . . . 0.0 111.491 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 91.7 m -68.23 7.54 0.57 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -88.89 -39.1 14.04 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.445 ' NE2' HD13 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -41.61 -29.44 0.18 Allowed 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -179.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 t -148.11 31.59 0.84 Allowed 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' A' ' 82' ' ' GLY . 72.6 ttt-85 33.94 59.08 0.58 Allowed 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 123.746 1.736 . . . . 0.0 109.188 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.445 HD13 ' NE2' ' A' ' 78' ' ' HIS . 41.4 mm -52.53 -17.08 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-N 113.62 -1.627 . . . . 0.0 110.293 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 80' ' ' ARG . . . -48.02 -24.29 3.17 Favored Glycine 0 N--CA 1.492 2.402 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.203 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.19 -22.01 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.406 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.402 HG21 ' O ' ' A' ' 81' ' ' ILE . 12.4 t -93.19 0.65 57.2 Favored 'General case' 0 N--CA 1.508 2.452 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.866 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 12.51 74.71 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 126.034 2.084 . . . . 0.0 113.886 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 . . . . . 0 N--CA 1.5 2.042 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.003 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.953 0.883 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 tt -51.56 -36.07 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.54 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -71.19 7.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.422 ' N ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.24 -47.05 1.1 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 179.281 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.31 -52.28 53.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 C-N-CA 118.786 -1.166 . . . . 0.0 112.152 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.35 -30.41 71.55 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.595 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.666 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -61.75 -21.45 64.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.127 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.55 -26.52 63.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -86.09 -47.99 9.03 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.2 mt -56.89 -34.97 68.43 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.254 -1.378 . . . . 0.0 107.713 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -50.83 -41.55 57.71 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.803 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.3 -46.68 70.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 113.932 -1.485 . . . . 0.0 112.763 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.64 -26.35 65.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.05 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -38.46 12.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -66.99 -55.39 14.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 116.863 -1.935 . . . . 0.0 107.69 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.37 -24.2 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.065 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.11 -62.5 2.32 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 119.716 -1.23 . . . . 0.0 112.407 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.2 m -63.52 -5.23 3.54 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -82.42 -20.76 36.39 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 113.356 -1.747 . . . . 0.0 109.81 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -45.31 -30.22 1.22 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 124.235 0.959 . . . . 0.0 110.143 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.3 t -164.02 28.32 0.08 Allowed 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.087 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 46.23 59.29 3.88 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 123.487 1.613 . . . . 0.0 114.138 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mp -78.08 0.38 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.639 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.41 -27.38 47.45 Favored Glycine 0 N--CA 1.505 3.261 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.76 -19.86 22.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-N 114.189 -1.005 . . . . 0.0 110.645 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -141.56 -4.25 1.12 Allowed 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 28.48 50.35 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 116.168 -1.873 . . . . 0.0 111.029 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.338 0.589 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.429 ' C ' ' H ' ' A' ' 62' ' ' ARG . 7.1 tp -45.62 -48.6 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 CA-C-O 121.727 0.775 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.52 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -67.41 14.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.521 ' N ' HE21 ' A' ' 65' ' ' GLN . 20.4 tpp85 -135.98 -44.62 0.65 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -58.98 -53.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.45 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.8 mm? -60.1 -31.61 70.2 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 117.531 -1.668 . . . . 0.0 111.804 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.678 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.6 mp0 -58.16 -23.12 54.18 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.661 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.39 -27.75 60.79 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.852 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.97 -45.73 11.21 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.7 mt -61.56 -37.77 85.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -40.4 -43.12 1.72 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 124.779 1.299 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.07 -55.8 17.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 118.148 -1.421 . . . . 0.0 112.513 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -75.55 -7.71 54.89 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.328 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 m-30 -102.88 -24.07 13.71 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -89.32 -54.94 3.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 117.187 -1.805 . . . . 0.0 108.493 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.9 mt -45.68 -41.56 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.19 -39.04 94.01 Favored Glycine 0 N--CA 1.503 3.151 0 C-N-CA 120.361 -0.923 . . . . 0.0 113.472 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.451 ' SG ' ' OG1' ' A' ' 84' ' ' THR . 86.4 m -80.32 6.33 12.33 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -81.61 -25.8 35.4 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.878 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.489 ' CD2' ' H ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -49.63 -38.44 32.13 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.659 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.489 ' H ' ' CD2' ' A' ' 78' ' ' HIS . 4.2 m -159.13 29.11 0.21 Allowed 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? 49.82 12.78 0.08 Allowed 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 117.768 2.506 . . . . 0.0 117.768 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.402 HD11 ' H ' ' A' ' 81' ' ' ILE . 3.9 mp -54.33 -25.1 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 C-N-CA 119.895 -0.722 . . . . 0.0 112.463 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.56 43.65 78.29 Favored Glycine 0 N--CA 1.499 2.847 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.788 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 HG22 ' A' ' 84' ' ' THR . 7.5 p -60.92 -34.93 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 114.032 -1.084 . . . . 0.0 111.907 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.451 ' OG1' ' SG ' ' A' ' 76' ' ' CYS . 41.0 p -94.19 -50.84 5.09 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.572 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 49.29 38.78 14.43 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.001 -1.909 . . . . 0.0 113.167 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 . . . . . 0 N--CA 1.505 2.321 0 CA-C-O 116.089 -1.91 . . . . 0.0 112.015 179.79 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.922 0.868 . . . . 0.0 108.804 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 62' ' ' ARG . 47.4 mm -46.67 -45.35 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.763 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -75.55 26.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.716 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.585 ' N ' HE21 ' A' ' 65' ' ' GLN . 3.3 tpt180 -143.65 -51.15 0.33 Allowed 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -55.12 -53.45 34.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.872 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.2 mm? -68.45 -28.17 66.81 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.272 -1.771 . . . . 0.0 111.878 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.635 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.5 mp0 -59.84 -25.76 65.27 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.193 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -67.26 -27.73 67.45 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.525 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.04 -44.61 11.44 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 33.5 mt -58.75 -29.25 66.61 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.182 -1.407 . . . . 0.0 108.355 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -46.18 -46.87 17.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 125.179 1.549 . . . . 0.0 108.371 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.433 HD13 ' H ' ' A' ' 70' ' ' ILE . 4.2 mp -68.74 -51.98 40.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.47 -25.48 67.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.457 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 57.0 t80 -92.96 -38.21 11.8 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -71.51 -37.13 71.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 115.641 -2.424 . . . . 0.0 108.646 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.4 mt -80.06 -47.41 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.69 -51.54 48.01 Favored Glycine 0 N--CA 1.496 2.668 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.084 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.457 ' SG ' ' CZ ' ' A' ' 72' ' ' PHE . 71.7 m -69.69 3.13 2.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -31.68 57.16 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.533 ' CG ' ' N ' ' A' ' 79' ' ' SER . 2.8 p80 -45.26 -40.88 7.96 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.098 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.533 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 9.1 t 169.89 54.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.163 0 O-C-N 125.649 1.843 . . . . 0.0 109.471 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.1 ttm105 34.1 36.94 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.596 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.446 HD11 ' NE2' ' A' ' 78' ' ' HIS . 13.1 mm 40.71 48.27 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 CA-C-O 124.147 1.927 . . . . 0.0 110.336 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.05 26.45 3.11 Favored Glycine 0 N--CA 1.497 2.709 0 CA-C-N 112.446 -2.161 . . . . 0.0 113.09 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.404 ' O ' HG21 ' A' ' 84' ' ' THR . 12.4 p -50.97 -32.04 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.404 HG21 ' O ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER 152.77 -63.66 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.875 0 C-N-CA 126.536 1.935 . . . . 0.0 106.1 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.9 mtm-85 -70.1 71.71 0.41 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 113.809 -1.541 . . . . 0.0 111.266 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 116.02 -1.943 . . . . 0.0 109.207 179.736 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.9 mp -46.34 -51.77 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 CA-C-O 122.396 1.093 . . . . 0.0 109.759 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.565 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -66.65 15.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.4 tpm_? -133.37 -40.61 0.89 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.44 -55.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.141 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.64 -30.22 68.57 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 122.647 1.213 . . . . 0.0 110.933 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.646 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -61.56 -18.0 57.39 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 113.277 -1.783 . . . . 0.0 112.285 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.0 -29.06 66.04 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.76 -49.53 8.38 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 15.1 mt -58.76 -30.33 67.45 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 117.16 -1.816 . . . . 0.0 108.855 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -47.33 -48.41 25.41 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 124.762 1.289 . . . . 0.0 108.524 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.49 -50.48 80.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 112.916 -1.947 . . . . 0.0 113.081 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -64.34 -26.94 68.7 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 114.463 -1.244 . . . . 0.0 113.482 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 12.0 m-30 -83.83 -37.37 22.6 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -68.19 -46.61 70.17 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 116.992 -1.883 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.6 mt -70.71 -40.93 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.973 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.44 ' C ' ' H ' ' A' ' 77' ' ' ARG . . . -48.58 -50.02 25.8 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 99.3 m -60.49 0.94 0.15 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' H ' ' C ' ' A' ' 75' ' ' GLY . 43.0 ttp180 -85.34 -25.41 27.15 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.459 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -43.31 -30.6 0.53 Allowed 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 122.477 1.132 . . . . 0.0 112.146 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.8 m -147.74 27.2 0.99 Allowed 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.156 -1.383 . . . . 0.0 107.88 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 33.29 58.48 0.49 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 112.264 -2.244 . . . . 0.0 114.881 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 81' ' ' ILE . 1.5 mp -54.42 -1.74 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.521 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.6 75.51 0.38 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 106.971 -2.452 . . . . 0.0 106.971 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 t -34.95 -29.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.13 -51.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.779 0.799 . . . . 0.0 109.948 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -88.69 162.24 16.39 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.111 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 116.189 -1.862 . . . . 0.0 110.08 179.865 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.404 0.621 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 62' ' ' ARG . 9.0 tp -54.37 -33.69 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 HD11 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.04 17.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.46 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.554 ' N ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -139.8 -41.06 0.44 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.72 -46.33 96.15 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.785 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.54 -33.42 71.13 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 122.687 1.232 . . . . 0.0 111.84 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.651 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -53.61 -22.88 9.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.013 -1.903 . . . . 0.0 113.861 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -71.8 -29.84 64.88 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.983 0.897 . . . . 0.0 110.776 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -80.05 -45.01 19.06 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.49 -37.64 81.75 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 112.515 -2.129 . . . . 0.0 107.182 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -52.45 -48.29 65.92 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 113.018 -1.901 . . . . 0.0 107.179 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.395 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -68.83 -29.53 67.88 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.559 -1.256 . . . . 0.0 113.437 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.416 ' CD1' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -89.42 -37.78 14.56 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -65.69 -45.72 81.72 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 118.661 -1.215 . . . . 0.0 108.269 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -75.27 -46.41 38.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 77' ' ' ARG . . . -52.18 -55.77 20.13 Favored Glycine 0 N--CA 1.501 2.98 0 C-N-CA 120.087 -1.054 . . . . 0.0 113.185 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.416 ' SG ' ' CD1' ' A' ' 72' ' ' PHE . 93.5 m -62.41 1.03 0.38 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 75' ' ' GLY . 25.0 ttt180 -80.67 -23.21 39.78 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.526 ' CG ' ' N ' ' A' ' 79' ' ' SER . 2.5 p80 -54.26 -43.91 71.37 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 0.5 OUTLIER 175.7 53.31 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.132 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 34.55 40.53 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.565 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 81' ' ' ILE . 19.7 mm 38.42 41.47 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 CA-C-O 124.461 2.077 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -100.25 -21.46 13.3 Favored Glycine 0 N--CA 1.494 2.513 0 CA-C-N 112.093 -2.321 . . . . 0.0 114.155 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.8 t -51.62 -18.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-O 121.557 0.694 . . . . 0.0 112.371 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.1 p -67.57 -35.48 79.09 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.561 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -82.54 58.32 4.12 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.823 1.297 . . . . 0.0 108.331 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 116.354 -1.784 . . . . 0.0 109.62 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 120.929 0.395 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp -50.52 -48.55 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 CA-C-O 121.563 0.697 . . . . 0.0 109.239 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.474 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -71.92 24.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 114.447 -1.251 . . . . 0.0 114.134 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.577 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.3 mtp180 -142.84 -37.66 0.37 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.31 -51.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.9 -31.37 68.55 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 118.134 -1.427 . . . . 0.0 110.515 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.649 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.7 mp0 -57.83 -20.23 34.58 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.928 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -68.63 -31.71 71.05 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.653 -0.819 . . . . 0.0 108.847 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.88 -45.65 16.47 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.71 -33.52 71.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.512 -1.676 . . . . 0.0 107.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.18 -41.87 72.48 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.24 -48.12 75.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -62.78 -29.03 70.39 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 113.746 -1.57 . . . . 0.0 112.942 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -90.33 -38.37 13.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -61.51 -44.34 97.25 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 117.894 -1.522 . . . . 0.0 108.718 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt -79.04 -43.28 24.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.445 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 77' ' ' ARG . . . -61.88 -62.16 6.0 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.051 -1.071 . . . . 0.0 113.473 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 80' ' ' ARG . 61.4 m -54.76 -3.71 0.05 Allowed 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.47 ' H ' ' C ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -73.21 -26.63 61.22 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 79' ' ' SER . 7.9 p80 -53.04 -37.54 61.66 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.331 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 41.3 t 171.56 48.24 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.529 0 O-C-N 124.413 1.07 . . . . 0.0 109.107 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' A' ' 82' ' ' GLY . 27.1 ttm180 41.41 33.43 0.28 Allowed 'General case' 0 N--CA 1.505 2.31 0 CA-C-O 121.84 0.829 . . . . 0.0 112.286 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.404 ' HA ' ' NE2' ' A' ' 78' ' ' HIS . 28.5 mm 53.76 7.57 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 122.231 1.015 . . . . 0.0 112.724 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 80' ' ' ARG . . . -42.0 -37.35 2.17 Favored Glycine 0 N--CA 1.5 2.949 0 CA-C-N 115.341 -0.845 . . . . 0.0 113.871 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.7 t -51.44 -32.71 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-N 114.364 -0.918 . . . . 0.0 109.592 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.1 p -146.12 84.72 1.65 Allowed 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.018 -1.446 . . . . 0.0 108.383 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -71.46 82.31 0.8 Allowed 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.099 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 N--CA 1.49 1.563 0 CA-C-N 113.812 -1.54 . . . . 0.0 106.976 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.309 0.576 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 tt -46.82 -43.69 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.142 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.5 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.1 pp -67.38 6.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -129.68 -41.85 1.32 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mt -60.17 -54.24 37.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 C-N-CA 119.091 -1.044 . . . . 0.0 111.967 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.24 -30.74 71.79 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 117.834 -1.546 . . . . 0.0 109.024 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -64.12 -17.42 63.44 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.409 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -69.23 -26.46 64.81 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -88.63 -48.0 7.87 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.35 -29.24 68.78 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 117.206 -1.798 . . . . 0.0 108.143 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -49.77 -44.55 48.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.656 1.223 . . . . 0.0 107.981 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 mt -65.16 -47.3 88.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.53 -29.21 66.76 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.736 -0.786 . . . . 0.0 112.625 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -82.82 -35.91 25.99 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -60.93 2.38 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt -54.94 -49.5 70.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.07 -55.17 19.9 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.912 -1.137 . . . . 0.0 111.231 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.3 m -62.91 -1.5 0.92 Allowed 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 41.4 ttt85 -83.45 -22.15 32.69 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 79' ' ' SER . 5.7 p80 -44.27 -35.3 2.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.071 0.857 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 46.8 t -165.09 27.32 0.06 Allowed 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.91 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 34.59 42.38 0.07 Allowed 'General case' 0 N--CA 1.505 2.275 0 CA-C-O 122.99 1.376 . . . . 0.0 112.033 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.411 ' C ' ' H ' ' A' ' 83' ' ' VAL . 1.4 mp 44.55 18.13 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 CA-C-O 123.934 1.826 . . . . 0.0 114.869 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 85' ' ' ARG . . . -67.85 31.36 0.23 Allowed Glycine 0 N--CA 1.495 2.622 0 CA-C-N 114.102 -1.408 . . . . 0.0 115.531 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 81' ' ' ILE . 44.6 t -70.23 -25.12 26.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.4 p -138.94 -65.25 0.49 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.021 0.915 . . . . 0.0 108.663 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' O ' ' HA2' ' A' ' 82' ' ' GLY . 3.3 ttt-85 -67.19 152.13 46.3 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 116.417 -1.754 . . . . 0.0 110.424 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 tp -50.92 -32.19 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' C ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -67.33 -9.2 9.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 C-N-CA 119.285 -0.966 . . . . 0.0 113.164 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 25.6 mtp85 -116.93 -43.82 2.85 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -50.82 -48.53 28.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.377 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.4 mt -76.89 -33.48 57.81 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.953 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.619 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -62.28 -16.87 56.54 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 112.863 -1.971 . . . . 0.0 114.168 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 24.4 mt-30 -69.6 -26.21 64.34 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -85.97 -51.91 6.05 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.945 -2.242 . . . . 0.0 104.945 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.3 -32.0 55.36 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.366 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -50.07 -44.43 51.72 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 113.9 -1.5 . . . . 0.0 108.269 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.13 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.782 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -68.36 -33.73 74.81 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.636 -0.825 . . . . 0.0 112.386 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.51 -35.18 25.04 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -67.09 -50.69 60.76 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 118.075 -1.45 . . . . 0.0 109.671 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mt -68.96 -49.46 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' ND1' ' A' ' 78' ' ' HIS . . . -46.85 -56.42 7.56 Favored Glycine 0 N--CA 1.489 2.18 0 C-N-CA 120.151 -1.023 . . . . 0.0 111.89 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.469 ' HA ' ' CE1' ' A' ' 78' ' ' HIS . 71.6 m -64.46 2.12 0.68 Allowed 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -81.3 -14.66 57.12 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 76' ' ' CYS . 8.0 p-80 -47.21 -36.53 8.93 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.697 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.434 ' N ' ' CD2' ' A' ' 78' ' ' HIS . 0.4 OUTLIER 170.01 29.32 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.543 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 24.19 51.51 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 124.023 1.868 . . . . 0.0 113.54 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 48.8 mm -60.83 -12.62 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-N 112.256 -2.247 . . . . 0.0 111.013 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' THR . . . 80.56 -50.62 4.09 Favored Glycine 0 N--CA 1.495 2.602 0 CA-C-N 114.484 -1.234 . . . . 0.0 112.111 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.6 t -35.76 -20.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' GLY . 28.0 m 68.33 -45.81 0.52 Allowed 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -99.67 20.22 14.43 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 122.548 1.166 . . . . 0.0 111.89 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.504 2.236 0 CA-C-O 116.856 -1.545 . . . . 0.0 107.335 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.821 0.82 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.2 mm -47.36 -40.55 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.473 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -66.84 9.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.52 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.9 tpp85 -136.68 -39.85 0.63 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.2 -49.8 82.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.706 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.78 -33.31 75.56 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 122.89 1.329 . . . . 0.0 112.176 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.593 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -54.44 -20.48 7.61 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.177 -1.829 . . . . 0.0 113.817 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.29 -32.97 67.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 122.206 1.003 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -74.11 -45.82 46.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.68 -38.27 89.71 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 112.343 -2.208 . . . . 0.0 106.202 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.3 -53.11 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.98 -38.97 82.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 C-N-CA 118.911 -1.116 . . . . 0.0 113.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -68.19 -30.56 69.68 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.002 -1.079 . . . . 0.0 113.352 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -37.77 14.42 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -66.59 -43.32 85.2 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.033 -1.44 . . . . 0.0 108.264 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.3 mt -73.77 -28.04 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 118.519 -1.272 . . . . 0.0 107.828 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 77' ' ' ARG . . . -68.39 -62.66 4.0 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.6 m -54.66 7.85 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -86.88 -35.34 19.04 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.521 ' CG ' ' N ' ' A' ' 79' ' ' SER . 6.0 p80 -34.3 -45.76 0.23 Allowed 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 114.662 -1.154 . . . . 0.0 113.103 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.521 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 73.0 m -129.84 23.0 5.37 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 114.127 -1.397 . . . . 0.0 109.421 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 35.7 67.42 0.28 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 127.689 2.396 . . . . 0.0 114.778 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.06 2.31 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.358 0 CA-C-N 112.037 -2.347 . . . . 0.0 112.161 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -101.65 -100.86 2.49 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -41.0 -69.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 CA-C-N 115.188 -0.506 . . . . 0.0 112.265 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.8 m 73.68 -59.9 0.55 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 124.322 1.014 . . . . 0.0 108.569 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -154.31 160.49 41.77 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 116.166 -1.874 . . . . 0.0 107.285 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.982 0.42 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.408 ' C ' ' H ' ' A' ' 62' ' ' ARG . 9.3 tp -52.63 -34.87 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.325 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.494 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -71.62 10.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.511 ' N ' HE21 ' A' ' 65' ' ' GLN . 1.1 mtt85 -136.99 -35.51 0.7 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.45 -46.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.341 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.98 -33.21 73.31 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.833 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.639 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -51.77 -24.32 5.78 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.5 -1.682 . . . . 0.0 113.11 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -71.65 -32.65 68.14 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.45 -0.9 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.68 -44.17 28.84 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.39 -34.39 77.63 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.054 -1.885 . . . . 0.0 107.171 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 78.3 t80 -54.57 -56.85 14.65 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 mt -60.95 -41.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -68.32 -31.71 71.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.198 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -85.91 -35.89 20.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 3.7 tpp180 -62.32 -66.46 0.54 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.185 -1.825 . . . . 0.0 106.497 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.46 -45.48 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.66 -54.0 12.02 Favored Glycine 0 N--CA 1.496 2.679 0 C-N-CA 120.004 -1.093 . . . . 0.0 112.066 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.9 m -71.86 -3.77 24.25 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 77' ' ' ARG . 3.4 mmp_? -87.73 -19.77 27.12 Favored 'General case' 0 C--N 1.289 -2.029 0 C-N-CA 118.97 -1.092 . . . . 0.0 111.659 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -38.86 79.47 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 118.075 -1.45 . . . . 0.0 108.708 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -171.42 35.21 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.834 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 44.05 62.66 1.88 Allowed 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 124.722 2.201 . . . . 0.0 115.547 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.0 mm -55.9 -11.72 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 CA-C-N 112.718 -2.037 . . . . 0.0 111.032 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 84' ' ' THR . . . -50.46 -32.66 23.56 Favored Glycine 0 N--CA 1.505 3.278 0 N-CA-C 107.406 -2.277 . . . . 0.0 107.406 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.76 16.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 113.414 -1.393 . . . . 0.0 111.204 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 82' ' ' GLY . 67.6 m -55.77 -25.76 42.55 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 20.89 83.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 125.247 1.592 . . . . 0.0 114.762 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.499 1.978 0 CA-C-O 116.892 -1.528 . . . . 0.0 112.193 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.434 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.9 mp -48.43 -46.59 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.638 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -69.53 15.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.636 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' N ' HE21 ' A' ' 65' ' ' GLN . 38.9 mmt180 -134.0 -46.52 0.79 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.58 -50.87 75.85 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.484 -0.886 . . . . 0.0 112.619 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.14 -25.03 64.18 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 117.685 -1.606 . . . . 0.0 112.483 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.579 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -64.26 -16.55 62.31 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -75.71 -34.99 60.39 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.03 0.919 . . . . 0.0 112.056 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -69.79 -42.83 73.24 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.95 -38.64 79.58 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -50.51 -46.54 57.25 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 117.861 -1.536 . . . . 0.0 107.613 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -73.74 -46.95 45.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -67.99 -18.69 64.8 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.735 -0.786 . . . . 0.0 112.482 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -97.99 -47.47 5.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -64.15 -40.24 95.73 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 116.902 -1.919 . . . . 0.0 109.03 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mt -71.34 -39.26 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.98 -45.37 61.93 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.4 m -60.15 -5.74 1.18 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -87.57 -12.26 46.27 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.182 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CG ' ' N ' ' A' ' 79' ' ' SER . 8.3 p80 -52.69 -35.01 54.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 124.103 0.877 . . . . 0.0 108.903 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 39.0 t 170.83 29.63 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 113.342 -1.753 . . . . 0.0 109.681 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' ' 82' ' ' GLY . 25.9 ttt180 36.87 43.74 0.31 Allowed 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 123.071 1.415 . . . . 0.0 111.588 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.7 mm 58.91 -10.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-N 113.123 -1.853 . . . . 0.0 115.956 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 80' ' ' ARG . . . -42.68 -23.04 0.16 Allowed Glycine 0 N--CA 1.501 2.993 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.816 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 t -52.27 -22.91 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 CA-C-O 121.048 0.451 . . . . 0.0 110.489 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.7 m 64.0 31.23 13.79 Favored 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 123.03 1.395 . . . . 0.0 113.166 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -67.2 102.17 1.01 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.492 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.497 1.885 0 CA-C-O 117.102 -1.428 . . . . 0.0 111.029 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.742 0.782 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 62' ' ' ARG . 43.8 mm -43.51 -45.14 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.176 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CD1' ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -68.62 17.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -179.691 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.544 ' N ' HE21 ' A' ' 65' ' ' GLN . 39.7 mtt180 -143.63 -40.32 0.3 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -45.04 92.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.544 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.78 -33.31 40.66 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.304 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.608 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -51.51 -27.57 11.04 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.336 -1.756 . . . . 0.0 114.722 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.25 -30.74 66.69 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.857 0.837 . . . . 0.0 112.101 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.04 -43.28 24.58 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.44 -36.98 85.54 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.153 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.8 -50.28 61.1 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.751 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.83 -44.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.613 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -70.75 -15.28 62.67 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.592 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -97.78 -40.14 8.69 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.85 -64.13 0.93 Allowed 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.447 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -50.48 -32.88 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.357 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.44 -19.8 67.03 Favored Glycine 0 N--CA 1.506 3.342 0 C-N-CA 117.307 -2.377 . . . . 0.0 113.874 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 98.1 m -101.77 1.77 37.66 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -53.58 17.85 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.622 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -35.64 -33.45 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.2 m -145.8 26.18 1.27 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.459 0.647 . . . . 0.0 110.938 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 35.89 54.44 0.93 Allowed 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.806 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mp -48.83 -20.15 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.746 0 CA-C-O 122.197 0.999 . . . . 0.0 113.632 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.15 -33.98 38.93 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.27 -24.52 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-N 114.604 -0.798 . . . . 0.0 111.959 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.7 m -68.13 -22.27 64.88 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.892 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -76.74 86.16 3.36 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 118.157 -1.417 . . . . 0.0 107.994 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.499 2.023 0 CA-C-O 117.649 -1.167 . . . . 0.0 113.713 179.767 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mm -44.09 -46.72 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.504 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -63.67 0.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.28 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -127.96 -35.38 2.07 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.58 -47.93 90.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 pp -90.44 -11.28 40.88 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 116.769 -1.972 . . . . 0.0 113.7 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.504 ' NE2' ' C ' ' A' ' 61' ' ' ILE . 1.9 mp0 -58.92 -18.94 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.446 0.641 . . . . 0.0 111.978 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.65 -30.24 65.53 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.832 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.79 -44.8 16.48 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.247 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 69' ' ' PHE . 3.4 pp -72.12 -24.42 61.47 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 115.253 -2.579 . . . . 0.0 108.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.456 ' N ' HD13 ' A' ' 68' ' ' LEU . 24.8 t80 -51.04 -51.21 55.47 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 mt -54.17 -54.99 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 113.556 -1.656 . . . . 0.0 113.203 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -54.41 -34.36 61.16 Favored 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 119.246 -0.982 . . . . 0.0 113.364 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.37 -34.08 28.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -42.48 89.08 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.753 -1.567 . . . . 0.0 107.075 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.2 mt -71.77 -47.83 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.99 -36.45 51.44 Favored Glycine 0 N--CA 1.497 2.719 0 C-N-CA 120.161 -1.019 . . . . 0.0 111.066 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' ARG . 71.4 m -60.19 -15.19 22.08 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 122.748 1.261 . . . . 0.0 114.294 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -67.78 -20.11 65.17 Favored 'General case' 0 C--N 1.287 -2.146 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.461 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -53.67 -30.5 43.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 123.734 0.647 . . . . 0.0 110.142 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.6 t -172.73 30.26 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.691 0 O-C-N 124.232 0.957 . . . . 0.0 112.078 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' CYS . 52.6 ttp180 27.66 51.76 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.402 0 CA-C-O 123.443 1.592 . . . . 0.0 110.646 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.0 mm 33.9 58.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 111.019 -2.809 . . . . 0.0 111.041 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.3 -22.54 44.52 Favored Glycine 0 N--CA 1.505 3.263 0 CA-C-N 112.546 -2.115 . . . . 0.0 111.043 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.8 t -66.34 -17.56 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.4 m 99.79 122.87 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 127.298 2.239 . . . . 0.0 105.378 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -75.47 173.45 10.95 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 116.376 -1.774 . . . . 0.0 108.902 179.828 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.735 0.779 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.425 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp -51.6 -42.78 30.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.705 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -72.31 17.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -179.496 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.469 ' N ' HE21 ' A' ' 65' ' ' GLN . 85.6 mtt180 -135.76 -47.6 0.68 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mt -56.13 -52.4 51.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.778 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.19 -30.72 70.59 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 117.79 -1.564 . . . . 0.0 111.384 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.571 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.2 mp0 -68.26 -20.32 64.79 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 113.326 -1.761 . . . . 0.0 114.049 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.38 -34.21 58.88 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.991 0.9 . . . . 0.0 110.663 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.97 -50.26 13.61 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.855 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 65' ' ' GLN . 3.7 pp -65.56 -27.77 68.67 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 114.632 -2.827 . . . . 0.0 108.821 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -55.57 -49.37 72.91 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 117.79 -1.564 . . . . 0.0 107.89 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.4 mt -66.87 -40.08 85.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.634 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -66.32 -29.24 69.4 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.943 -1.103 . . . . 0.0 112.711 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -41.74 11.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -58.42 -61.46 2.57 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.2 mt -57.1 -42.08 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -45.83 -35.35 6.0 Favored Glycine 0 N--CA 1.489 2.22 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.106 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.2 m -107.23 0.23 23.11 Favored 'General case' 0 N--CA 1.508 2.454 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -83.71 -13.54 53.8 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 113.313 -1.767 . . . . 0.0 108.041 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 79' ' ' SER . 6.7 p-80 -42.51 -31.62 0.46 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.56 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.486 ' N ' ' CD2' ' A' ' 78' ' ' HIS . 45.8 t 159.82 32.96 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.666 0 O-C-N 126.03 2.081 . . . . 0.0 109.512 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 30.93 36.94 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 CA-C-O 122.414 1.102 . . . . 0.0 113.794 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG12 ' CD2' ' A' ' 78' ' ' HIS . 46.8 mm -53.57 -27.08 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 CA-C-O 124.004 1.859 . . . . 0.0 108.772 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.3 -14.39 2.19 Favored Glycine 0 N--CA 1.489 2.224 0 CA-C-N 111.389 -2.641 . . . . 0.0 111.347 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.2 p -50.67 -34.84 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-O 121.799 0.809 . . . . 0.0 111.397 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 t -64.74 -17.38 64.09 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 118.751 -1.18 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 28.16 42.28 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 O-C-N 126.337 2.273 . . . . 0.0 112.96 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 114.359 -2.734 . . . . 0.0 107.344 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 62' ' ' ARG . 2.7 tt -50.64 -38.13 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 C-N-CA 119.181 -1.007 . . . . 0.0 111.747 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -70.83 12.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.512 ' N ' HE21 ' A' ' 65' ' ' GLN . 34.3 mtp-105 -135.35 -41.81 0.71 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.83 -48.91 86.78 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.41 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.9 -31.49 72.75 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 117.94 -1.504 . . . . 0.0 111.871 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.638 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.6 mp0 -57.22 -21.6 34.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.354 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.19 -27.36 61.59 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.178 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -83.04 -41.14 19.01 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.4 -37.13 86.09 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 105.604 -1.998 . . . . 0.0 105.604 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.96 -41.73 62.33 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 113.81 -1.541 . . . . 0.0 107.011 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.66 -53.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -70.73 -11.54 61.01 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 117.759 -1.577 . . . . 0.0 114.425 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -105.1 -30.08 9.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.89 -47.34 9.75 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.053 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mt -52.33 -38.6 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 C-N-CA 118.591 -1.244 . . . . 0.0 110.363 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.25 -18.32 62.72 Favored Glycine 0 N--CA 1.502 3.067 0 C-N-CA 118.846 -1.645 . . . . 0.0 114.15 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.4 m -109.81 -6.31 15.29 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -71.29 -30.48 66.3 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 113.587 -1.642 . . . . 0.0 111.368 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -52.49 -32.41 39.91 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.526 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -157.25 27.22 0.3 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 49.06 48.31 20.94 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.039 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.16 -13.16 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.21 -61.2 2.69 Favored Glycine 0 N--CA 1.492 2.387 0 CA-C-O 122.269 0.927 . . . . 0.0 112.037 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 85' ' ' ARG . 42.1 t -91.69 -20.83 6.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 113.745 -1.228 . . . . 0.0 112.026 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.2 p 51.85 -9.51 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 116.995 2.221 . . . . 0.0 116.995 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -75.38 72.97 2.44 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 . . . . . 0 N--CA 1.503 2.177 0 CA-C-O 115.972 -1.966 . . . . 0.0 110.785 179.59 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.277 0.561 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.6 mm -44.97 -48.66 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.46 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -65.83 14.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.54 ' N ' HE21 ' A' ' 65' ' ' GLN . 51.0 ttt180 -137.83 -38.15 0.58 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.05 -48.68 87.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -32.88 74.47 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.201 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.599 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -56.52 -20.92 22.77 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 113.223 -1.808 . . . . 0.0 114.209 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.57 -31.4 65.21 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.093 0.949 . . . . 0.0 111.497 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -77.34 -46.18 23.72 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.51 -39.13 89.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 112.465 -2.152 . . . . 0.0 106.683 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.39 -48.64 62.53 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 113.768 -1.56 . . . . 0.0 107.922 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.47 -43.59 87.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-N 114.347 -1.297 . . . . 0.0 112.857 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -65.45 -31.26 72.25 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -94.39 -33.26 13.22 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.39 -49.28 67.37 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 117.145 -1.822 . . . . 0.0 106.086 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.02 -49.86 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.576 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.42 -55.44 29.64 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 116.131 1.212 . . . . 0.0 116.131 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 75.5 m -66.66 -6.12 14.34 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -82.78 -20.39 35.93 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.048 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -40.28 93.86 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.105 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 t -176.54 37.97 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 123.671 0.607 . . . . 0.0 110.662 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 40.23 52.06 2.78 Favored 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.9 mm -49.57 -25.55 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.373 0 CA-C-N 114.787 -1.097 . . . . 0.0 113.193 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -49.41 -25.04 5.79 Favored Glycine 0 N--CA 1.494 2.554 0 CA-C-N 113.561 -1.654 . . . . 0.0 113.817 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.13 -24.84 30.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.657 0.742 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.6 p -130.12 -58.74 1.06 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.939 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 42.3 26.0 0.05 Allowed 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 122.524 1.154 . . . . 0.0 113.144 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 116.222 -1.847 . . . . 0.0 107.115 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.5 2.044 0 CA-C-O 120.898 0.38 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.616 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.34 13.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-O 122.106 0.955 . . . . 0.0 112.996 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -131.4 -47.05 0.98 Allowed 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -55.69 -56.11 13.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.2 -34.44 76.46 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.327 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.557 HE21 HD12 ' A' ' 68' ' ' LEU . 13.9 mp0 -63.15 -19.16 64.21 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.486 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.9 -28.74 66.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -86.51 -49.37 7.62 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.557 HD12 HE21 ' A' ' 65' ' ' GLN . 21.5 mt -58.73 -29.5 66.76 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 117.722 -1.591 . . . . 0.0 107.96 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -41.89 60.28 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.988 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 22.2 mm -65.49 -49.63 77.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 113.799 -1.546 . . . . 0.0 114.724 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -68.26 -20.05 64.77 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.913 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -83.88 -47.49 11.01 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -58.55 -63.53 1.25 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.991 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.4 mt . . . . . 0 N--CA 1.497 1.899 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.76 -179.682 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.504 2.274 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.589 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -64.68 13.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 60' ' ' ILE . 20.8 mtp-105 -135.3 -37.63 0.77 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.59 -51.26 65.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.181 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 64' ' ' LEU . 7.8 mp -57.55 -35.29 70.13 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.362 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 15.4 mp0 -61.59 -20.97 63.91 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.808 -1.996 . . . . 0.0 113.016 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -78.55 -29.85 46.57 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.145 -1.022 . . . . 0.0 111.855 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.47 -44.15 65.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.1 -37.35 81.08 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 53.5 t80 -51.43 -51.53 54.04 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.1 mt -60.83 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 C-N-CA 119.051 -1.06 . . . . 0.0 112.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -65.03 -24.88 67.61 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -94.36 -37.75 11.32 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -69.45 -38.91 78.0 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.5 mt . . . . . 0 N--CA 1.49 1.567 0 C-N-CA 118.495 -1.282 . . . . 0.0 108.175 179.479 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.464 ' C ' ' H ' ' A' ' 62' ' ' ARG . 45.8 mm . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 121.496 0.665 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.574 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.76 27.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.901 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 60' ' ' ILE . 2.9 tpt180 -144.42 -49.96 0.28 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.07 -50.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.829 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.3 mm? -71.66 -23.1 61.62 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 118.797 -1.161 . . . . 0.0 113.149 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.4 mp0 -58.81 -19.65 43.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.705 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.92 -30.48 68.96 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.683 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -44.2 20.45 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.409 HD12 HE21 ' A' ' 65' ' ' GLN . 28.9 mt -61.5 -34.06 74.86 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 112.974 -1.921 . . . . 0.0 107.311 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.78 -40.97 76.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 113.854 -1.521 . . . . 0.0 108.031 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.6 -44.88 76.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.695 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -67.57 -31.09 70.92 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.301 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -85.75 -39.92 16.63 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -67.6 -48.53 66.57 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 116.464 -2.095 . . . . 0.0 109.575 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 N--CA 1.493 1.688 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.456 179.742 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 N--CA 1.502 2.132 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.36 6.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -132.95 -45.24 0.86 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mm -56.59 -46.64 82.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.25 -31.0 63.85 Favored 'General case' 0 N--CA 1.505 2.32 0 CA-C-O 123.276 1.512 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.553 HE21 HD12 ' A' ' 68' ' ' LEU . 13.0 mp0 -59.45 -17.5 31.7 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.817 -1.992 . . . . 0.0 112.068 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.07 -27.86 69.68 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.5 mp -88.2 -42.94 11.98 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.587 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD12 HE21 ' A' ' 65' ' ' GLN . 15.5 mt -65.58 -24.12 67.0 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.293 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -48.49 48.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 125.321 1.638 . . . . 0.0 106.779 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 ' H ' ' A' ' 70' ' ' ILE . 3.6 mp -54.41 -56.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 114.315 -1.311 . . . . 0.0 113.585 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -54.59 -40.5 68.9 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -81.85 -22.63 36.86 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.867 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -72.26 -48.6 41.38 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.375 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.493 1.712 0 CA-C-N 112.909 -1.951 . . . . 0.0 111.015 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.19 7.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.24 -47.05 1.1 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 179.281 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.31 -52.28 53.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 C-N-CA 118.786 -1.166 . . . . 0.0 112.152 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.35 -30.41 71.55 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.595 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 10.8 mp0 -61.75 -21.45 64.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.127 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.55 -26.52 63.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -86.09 -47.99 9.03 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.2 mt -56.89 -34.97 68.43 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.254 -1.378 . . . . 0.0 107.713 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -50.83 -41.55 57.71 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.803 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.3 -46.68 70.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 113.932 -1.485 . . . . 0.0 112.763 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.64 -26.35 65.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.05 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -38.46 12.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -66.99 -55.39 14.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 116.863 -1.935 . . . . 0.0 107.69 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.494 1.743 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.065 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.502 2.158 0 CA-C-O 121.727 0.775 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -67.41 14.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -135.98 -44.62 0.65 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -58.98 -53.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.45 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.8 mm? -60.1 -31.61 70.2 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 117.531 -1.668 . . . . 0.0 111.804 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.2 mp0 -58.16 -23.12 54.18 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.661 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.39 -27.75 60.79 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.852 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.97 -45.73 11.21 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.7 mt -61.56 -37.77 85.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -40.4 -43.12 1.72 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 124.779 1.299 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.07 -55.8 17.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 118.148 -1.421 . . . . 0.0 112.513 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -75.55 -7.71 54.89 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.328 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 m-30 -102.88 -24.07 13.71 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -89.32 -54.94 3.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 117.187 -1.805 . . . . 0.0 108.493 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.632 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.446 ' C ' ' H ' ' A' ' 62' ' ' ARG . 47.4 mm . . . . . 0 N--CA 1.504 2.256 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.523 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.55 26.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.716 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 60' ' ' ILE . 3.3 tpt180 -143.65 -51.15 0.33 Allowed 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -55.12 -53.45 34.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.872 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.2 mm? -68.45 -28.17 66.81 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.272 -1.771 . . . . 0.0 111.878 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.7 mp0 -59.84 -25.76 65.27 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.193 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -67.26 -27.73 67.45 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.525 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.04 -44.61 11.44 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.432 HD12 HE21 ' A' ' 65' ' ' GLN . 33.5 mt -58.75 -29.25 66.61 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.182 -1.407 . . . . 0.0 108.355 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -46.18 -46.87 17.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 125.179 1.549 . . . . 0.0 108.371 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.517 HD12 ' H ' ' A' ' 70' ' ' ILE . 4.2 mp -68.74 -51.98 40.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.47 -25.48 67.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -92.96 -38.21 11.8 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -71.51 -37.13 71.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 115.641 -2.424 . . . . 0.0 108.646 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.4 mt . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.448 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.503 2.194 0 CA-C-O 122.396 1.093 . . . . 0.0 109.759 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -66.65 15.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 7.4 tpm_? -133.37 -40.61 0.89 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.44 -55.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.141 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.64 -30.22 68.57 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 122.647 1.213 . . . . 0.0 110.933 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.564 HE21 HD12 ' A' ' 68' ' ' LEU . 11.3 mp0 -61.56 -18.0 57.39 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 113.277 -1.783 . . . . 0.0 112.285 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.0 -29.06 66.04 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.76 -49.53 8.38 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.564 HD12 HE21 ' A' ' 65' ' ' GLN . 15.1 mt -58.76 -30.33 67.45 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 117.16 -1.816 . . . . 0.0 108.855 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -47.33 -48.41 25.41 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 124.762 1.289 . . . . 0.0 108.524 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.49 -50.48 80.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 112.916 -1.947 . . . . 0.0 113.081 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -64.34 -26.94 68.7 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 114.463 -1.244 . . . . 0.0 113.482 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 12.0 m-30 -83.83 -37.37 22.6 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -68.19 -46.61 70.17 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 116.992 -1.883 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.6 mt . . . . . 0 N--CA 1.495 1.821 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.973 179.779 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 62' ' ' ARG . 9.0 tp . . . . . 0 N--CA 1.5 2.027 0 CA-C-O 121.22 0.533 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.606 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.04 17.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.46 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -139.8 -41.06 0.44 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.346 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.72 -46.33 96.15 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.785 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.54 -33.42 71.13 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 122.687 1.232 . . . . 0.0 111.84 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.3 mp0 -53.61 -22.88 9.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.013 -1.903 . . . . 0.0 113.861 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -71.8 -29.84 64.88 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.983 0.897 . . . . 0.0 110.776 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -80.05 -45.01 19.06 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.49 -37.64 81.75 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 112.515 -2.129 . . . . 0.0 107.182 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -52.45 -48.29 65.92 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 113.018 -1.901 . . . . 0.0 107.179 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.395 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -68.83 -29.53 67.88 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.559 -1.256 . . . . 0.0 113.437 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.42 -37.78 14.56 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -65.69 -45.72 81.72 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 118.661 -1.215 . . . . 0.0 108.269 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 C--N 1.304 -1.396 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.614 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp . . . . . 0 N--CA 1.505 2.283 0 CA-C-O 121.563 0.697 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.544 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.92 24.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 114.447 -1.251 . . . . 0.0 114.134 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 60' ' ' ILE . 7.3 mtp180 -142.84 -37.66 0.37 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.31 -51.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.9 -31.37 68.55 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 118.134 -1.427 . . . . 0.0 110.515 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 6.4 mp0 -57.83 -20.23 34.58 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.928 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -68.63 -31.71 71.05 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.653 -0.819 . . . . 0.0 108.847 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.88 -45.65 16.47 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.71 -33.52 71.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.512 -1.676 . . . . 0.0 107.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.18 -41.87 72.48 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.24 -48.12 75.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -62.78 -29.03 70.39 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 113.746 -1.57 . . . . 0.0 112.942 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -90.33 -38.37 13.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -61.51 -44.34 97.25 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 117.894 -1.522 . . . . 0.0 108.718 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt . . . . . 0 C--N 1.303 -1.446 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.445 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.501 2.113 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.1 pp -67.38 6.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -129.68 -41.85 1.32 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mt -60.17 -54.24 37.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 C-N-CA 119.091 -1.044 . . . . 0.0 111.967 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.24 -30.74 71.79 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 117.834 -1.546 . . . . 0.0 109.024 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.631 HE21 HD12 ' A' ' 68' ' ' LEU . 14.4 mp0 -64.12 -17.42 63.44 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.409 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -69.23 -26.46 64.81 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.6 mp -88.63 -48.0 7.87 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD12 HE21 ' A' ' 65' ' ' GLN . 16.8 mt -60.35 -29.24 68.78 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 117.206 -1.798 . . . . 0.0 108.143 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -49.77 -44.55 48.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.656 1.223 . . . . 0.0 107.981 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 mt -65.16 -47.3 88.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.53 -29.21 66.76 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.736 -0.786 . . . . 0.0 112.625 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -82.82 -35.91 25.99 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -60.93 2.38 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.595 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -67.33 -9.2 9.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 C-N-CA 119.285 -0.966 . . . . 0.0 113.164 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 25.6 mtp85 -116.93 -43.82 2.85 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -50.82 -48.53 28.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.377 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.4 mt -76.89 -33.48 57.81 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.953 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.532 HE21 HD12 ' A' ' 68' ' ' LEU . 16.4 mp0 -62.28 -16.87 56.54 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 112.863 -1.971 . . . . 0.0 114.168 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 96.1 mt-30 -69.6 -26.21 64.34 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -85.97 -51.91 6.05 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.945 -2.242 . . . . 0.0 104.945 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.532 HD12 HE21 ' A' ' 65' ' ' GLN . 19.6 mt -54.3 -32.0 55.36 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.366 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -50.07 -44.43 51.72 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 113.9 -1.5 . . . . 0.0 108.269 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.13 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.782 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -68.36 -33.73 74.81 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.636 -0.825 . . . . 0.0 112.386 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.51 -35.18 25.04 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -67.09 -50.69 60.76 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 118.075 -1.45 . . . . 0.0 109.671 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 179.598 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.405 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.2 mm . . . . . 0 N--CA 1.5 2.049 0 CA-C-O 121.158 0.504 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.84 9.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 60' ' ' ILE . 7.9 tpp85 -136.68 -39.85 0.63 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.2 -49.8 82.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.706 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.78 -33.31 75.56 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 122.89 1.329 . . . . 0.0 112.176 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 4.0 mp0 -54.44 -20.48 7.61 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.177 -1.829 . . . . 0.0 113.817 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.29 -32.97 67.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 122.206 1.003 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 67' ' ' LEU . 5.9 mp -74.11 -45.82 46.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.68 -38.27 89.71 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 112.343 -2.208 . . . . 0.0 106.202 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.3 -53.11 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.98 -38.97 82.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 C-N-CA 118.911 -1.116 . . . . 0.0 113.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -68.19 -30.56 69.68 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.002 -1.079 . . . . 0.0 113.352 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -37.77 14.42 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -66.59 -43.32 85.2 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.033 -1.44 . . . . 0.0 108.264 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.3 mt . . . . . 0 N--CA 1.493 1.693 0 C-N-CA 118.519 -1.272 . . . . 0.0 107.828 179.558 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.3 tp . . . . . 0 N--CA 1.5 2.034 0 CA-C-O 121.137 0.494 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.586 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.62 10.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -136.99 -35.51 0.7 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.45 -46.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.341 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.98 -33.21 73.31 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.833 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 4.7 mp0 -51.77 -24.32 5.78 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.5 -1.682 . . . . 0.0 113.11 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -71.65 -32.65 68.14 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.45 -0.9 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.68 -44.17 28.84 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.39 -34.39 77.63 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.054 -1.885 . . . . 0.0 107.171 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 78.3 t80 -54.57 -56.85 14.65 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 mt -60.95 -41.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -68.32 -31.71 71.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.198 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -85.91 -35.89 20.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 3.7 tpp180 -62.32 -66.46 0.54 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.185 -1.825 . . . . 0.0 106.497 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.881 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.5 2.045 0 CA-C-O 120.835 0.35 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.575 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -69.53 15.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.636 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 60' ' ' ILE . 38.9 mmt180 -134.0 -46.52 0.79 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.58 -50.87 75.85 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.484 -0.886 . . . . 0.0 112.619 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -69.14 -25.03 64.18 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 117.685 -1.606 . . . . 0.0 112.483 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 7.1 mp0 -64.26 -16.55 62.31 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -75.71 -34.99 60.39 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.03 0.919 . . . . 0.0 112.056 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -69.79 -42.83 73.24 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.95 -38.64 79.58 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -50.51 -46.54 57.25 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 117.861 -1.536 . . . . 0.0 107.613 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -73.74 -46.95 45.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -67.99 -18.69 64.8 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.735 -0.786 . . . . 0.0 112.482 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -97.99 -47.47 5.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 20.7 tpt180 -64.15 -40.24 95.73 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 116.902 -1.919 . . . . 0.0 109.03 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 179.339 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 62' ' ' ARG . 43.8 mm . . . . . 0 N--CA 1.504 2.259 0 CA-C-O 120.458 0.171 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.566 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -68.62 17.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -179.691 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 60' ' ' ILE . 39.7 mtt180 -143.63 -40.32 0.3 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -45.04 92.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.544 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.78 -33.31 40.66 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.304 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.3 mp0 -51.51 -27.57 11.04 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.336 -1.756 . . . . 0.0 114.722 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.25 -30.74 66.69 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.857 0.837 . . . . 0.0 112.101 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -79.04 -43.28 24.58 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.44 -36.98 85.54 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.153 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.8 -50.28 61.1 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.751 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.83 -44.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.613 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -70.75 -15.28 62.67 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.592 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -97.78 -40.14 8.69 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.85 -64.13 0.93 Allowed 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.447 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt . . . . . 0 N--CA 1.492 1.655 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.357 -179.519 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.591 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -63.67 0.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.28 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -127.96 -35.38 2.07 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.58 -47.93 90.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.623 HD11 HE22 ' A' ' 65' ' ' GLN . 4.6 pp -90.44 -11.28 40.88 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 116.769 -1.972 . . . . 0.0 113.7 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.623 HE22 HD11 ' A' ' 64' ' ' LEU . 6.4 mp0 -58.92 -18.94 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.446 0.641 . . . . 0.0 111.978 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.65 -30.24 65.53 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.832 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -81.79 -44.8 16.48 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.247 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.501 ' HG ' ' HA ' ' A' ' 65' ' ' GLN . 3.4 pp -72.12 -24.42 61.47 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 115.253 -2.579 . . . . 0.0 108.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.493 ' N ' HD12 ' A' ' 68' ' ' LEU . 24.8 t80 -51.04 -51.21 55.47 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 mt -54.17 -54.99 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 113.556 -1.656 . . . . 0.0 113.203 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -54.41 -34.36 61.16 Favored 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 119.246 -0.982 . . . . 0.0 113.364 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.37 -34.08 28.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -42.48 89.08 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.753 -1.567 . . . . 0.0 107.075 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.38 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.501 2.103 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.613 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.31 17.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -179.496 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 60' ' ' ILE . 85.6 mtt180 -135.76 -47.6 0.68 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mt -56.13 -52.4 51.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.778 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.19 -30.72 70.59 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 117.79 -1.564 . . . . 0.0 111.384 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.482 ' HA ' ' HG ' ' A' ' 68' ' ' LEU . 15.2 mp0 -68.26 -20.32 64.79 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 113.326 -1.761 . . . . 0.0 114.049 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.38 -34.21 58.88 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.991 0.9 . . . . 0.0 110.663 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.97 -50.26 13.61 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.855 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' HA ' ' A' ' 65' ' ' GLN . 3.7 pp -65.56 -27.77 68.67 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 114.632 -2.827 . . . . 0.0 108.821 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' N ' HD12 ' A' ' 68' ' ' LEU . 51.4 t80 -55.57 -49.37 72.91 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 117.79 -1.564 . . . . 0.0 107.89 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.4 mt -66.87 -40.08 85.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.634 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -66.32 -29.24 69.4 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.943 -1.103 . . . . 0.0 112.711 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -41.74 11.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -58.42 -61.46 2.57 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.2 mt . . . . . 0 N--CA 1.496 1.836 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 179.552 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.424 ' C ' ' H ' ' A' ' 62' ' ' ARG . 2.7 tt . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.578 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -70.83 12.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' H ' ' C ' ' A' ' 60' ' ' ILE . 34.3 mtp-105 -135.35 -41.81 0.71 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.83 -48.91 86.78 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.41 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.9 -31.49 72.75 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 117.94 -1.504 . . . . 0.0 111.871 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.491 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 4.9 mp0 -57.22 -21.6 34.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.354 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.19 -27.36 61.59 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.178 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -83.04 -41.14 19.01 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.4 -37.13 86.09 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 105.604 -1.998 . . . . 0.0 105.604 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.96 -41.73 62.33 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 113.81 -1.541 . . . . 0.0 107.011 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.66 -53.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -70.73 -11.54 61.01 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 117.759 -1.577 . . . . 0.0 114.425 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -105.1 -30.08 9.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.89 -47.34 9.75 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.053 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.499 2.0 0 C-N-CA 118.591 -1.244 . . . . 0.0 110.363 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.468 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.6 mm . . . . . 0 N--CA 1.503 2.189 0 CA-C-O 121.0 0.428 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.545 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -65.83 14.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 60' ' ' ILE . 51.0 ttt180 -137.83 -38.15 0.58 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.05 -48.68 87.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -32.88 74.47 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.201 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 4.5 mp0 -56.52 -20.92 22.77 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 113.223 -1.808 . . . . 0.0 114.209 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.57 -31.4 65.21 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.093 0.949 . . . . 0.0 111.497 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -77.34 -46.18 23.72 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.51 -39.13 89.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 112.465 -2.152 . . . . 0.0 106.683 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.39 -48.64 62.53 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 113.768 -1.56 . . . . 0.0 107.922 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.47 -43.59 87.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-N 114.347 -1.297 . . . . 0.0 112.857 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -65.45 -31.26 72.25 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -94.39 -33.26 13.22 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.39 -49.28 67.37 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 117.145 -1.822 . . . . 0.0 106.086 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.489 1.49 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.576 179.71 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 122.161 0.982 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 tp -53.34 -32.88 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.327 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.616 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.34 13.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-O 122.106 0.955 . . . . 0.0 112.996 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -131.4 -47.05 0.98 Allowed 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -55.69 -56.11 13.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.2 -34.44 76.46 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.327 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.557 HE21 HD12 ' A' ' 68' ' ' LEU . 13.9 mp0 -63.15 -19.16 64.21 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.486 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.9 -28.74 66.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -86.51 -49.37 7.62 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.557 HD12 HE21 ' A' ' 65' ' ' GLN . 21.5 mt -58.73 -29.5 66.76 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 117.722 -1.591 . . . . 0.0 107.96 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -41.89 60.28 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.988 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 22.2 mm -65.49 -49.63 77.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 113.799 -1.546 . . . . 0.0 114.724 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -68.26 -20.05 64.77 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.913 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -83.88 -47.49 11.01 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.526 ' HE ' ' CZ ' ' A' ' 77' ' ' ARG . 78.4 ttt180 -58.55 -63.53 1.25 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.991 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.4 mt -54.8 -25.02 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.76 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.36 -63.77 2.43 Favored Glycine 0 N--CA 1.486 2.007 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.7 m -55.47 -5.79 0.15 Allowed 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.526 ' CZ ' ' HE ' ' A' ' 73' ' ' ARG . 22.1 mtt-85 -84.8 -23.5 29.1 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 113.485 -1.689 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -21.78 1.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.472 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 t -163.34 35.28 0.09 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.023 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 34.53 60.46 0.6 Allowed 'General case' 0 N--CA 1.507 2.402 0 CA-C-O 123.508 1.623 . . . . 0.0 111.995 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' VAL . 1.2 mp -58.3 -20.59 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 CA-C-N 113.327 -1.761 . . . . 0.0 112.708 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -35.15 -20.8 0.01 OUTLIER Glycine 0 N--CA 1.502 3.051 0 CA-C-N 113.435 -1.711 . . . . 0.0 116.664 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.529 ' O ' ' HB ' ' A' ' 84' ' ' THR . 27.2 t -61.56 -40.0 85.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.73 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 83' ' ' VAL . 7.4 t 141.07 -30.05 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.08 0 O-C-N 125.413 1.695 . . . . 0.0 110.717 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -59.73 86.69 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.456 -0.897 . . . . 0.0 113.243 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.504 2.231 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.453 179.758 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.205 0.526 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.7 mp -50.51 -49.56 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.589 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -64.68 13.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 60' ' ' ILE . 20.8 mtp-105 -135.3 -37.63 0.77 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.59 -51.26 65.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.181 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 64' ' ' LEU . 7.8 mp -57.55 -35.29 70.13 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.362 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 15.4 mp0 -61.59 -20.97 63.91 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.808 -1.996 . . . . 0.0 113.016 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -78.55 -29.85 46.57 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.145 -1.022 . . . . 0.0 111.855 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.47 -44.15 65.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.1 -37.35 81.08 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 53.5 t80 -51.43 -51.53 54.04 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.1 mt -60.83 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 C-N-CA 119.051 -1.06 . . . . 0.0 112.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -65.03 -24.88 67.61 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' SG ' ' A' ' 76' ' ' CYS . 32.6 t80 -94.36 -37.75 11.32 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -69.45 -38.91 78.0 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.5 mt -79.54 -43.45 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 118.495 -1.282 . . . . 0.0 108.175 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.94 -53.77 34.94 Favored Glycine 0 N--CA 1.494 2.545 0 C-N-CA 120.86 -0.686 . . . . 0.0 114.038 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' A' ' 72' ' ' PHE . 83.7 m -76.37 12.6 1.17 Allowed 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 116.023 1.861 . . . . 0.0 116.023 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -96.64 -40.5 8.98 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.52 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CG ' ' N ' ' A' ' 79' ' ' SER . 2.2 p80 -31.44 -39.79 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 O-C-N 124.8 1.312 . . . . 0.0 114.042 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 73.7 m -146.76 28.86 1.03 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.719 0.771 . . . . 0.0 109.062 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 43.41 70.12 0.34 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 124.153 1.93 . . . . 0.0 113.772 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -84.7 -7.8 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-N 111.899 -2.41 . . . . 0.0 110.428 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.81 46.63 0.02 OUTLIER Glycine 0 N--CA 1.496 2.677 0 C-N-CA 118.27 -1.919 . . . . 0.0 117.372 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.41 -20.3 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 CA-C-O 122.289 1.042 . . . . 0.0 111.077 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -113.17 19.12 17.41 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.924 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 85.69 1.69 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 105.982 -1.858 . . . . 0.0 105.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 . . . . . 0 N--CA 1.503 2.188 0 CA-C-N 112.687 -2.051 . . . . 0.0 109.747 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.507 0.67 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.464 ' C ' ' H ' ' A' ' 62' ' ' ARG . 45.8 mm -53.65 -40.93 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-O 121.496 0.665 . . . . 0.0 109.216 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.574 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.76 27.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.901 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 60' ' ' ILE . 2.9 tpt180 -144.42 -49.96 0.28 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.07 -50.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.829 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.3 mm? -71.66 -23.1 61.62 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 118.797 -1.161 . . . . 0.0 113.149 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.4 mp0 -58.81 -19.65 43.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.705 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.92 -30.48 68.96 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.683 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -44.2 20.45 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD12 HE21 ' A' ' 65' ' ' GLN . 28.9 mt -61.5 -34.06 74.86 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 112.974 -1.921 . . . . 0.0 107.311 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.78 -40.97 76.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 113.854 -1.521 . . . . 0.0 108.031 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.6 -44.88 76.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.695 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -67.57 -31.09 70.92 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.301 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.425 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 51.7 t80 -85.75 -39.92 16.63 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -67.6 -48.53 66.57 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 116.464 -2.095 . . . . 0.0 109.575 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.33 -41.09 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.456 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.74 -56.69 11.91 Favored Glycine 0 N--CA 1.494 2.525 0 C-N-CA 119.657 -1.259 . . . . 0.0 114.636 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.425 ' SG ' ' CZ ' ' A' ' 72' ' ' PHE . 85.0 m -59.55 9.47 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 119.288 3.07 . . . . 0.0 119.288 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -90.82 -29.5 17.54 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.515 ' CG ' ' N ' ' A' ' 79' ' ' SER . 4.9 p80 -55.0 -45.71 75.1 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 118.03 -1.468 . . . . 0.0 109.426 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.515 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 3.6 m -171.75 40.31 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.121 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.49 ' HB3' ' HB ' ' A' ' 83' ' ' VAL . 21.9 ttt180 44.66 51.93 7.97 Favored 'General case' 0 N--CA 1.509 2.476 0 CA-C-O 122.713 1.244 . . . . 0.0 109.938 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.414 ' HA ' ' NE2' ' A' ' 78' ' ' HIS . 37.2 mm 43.18 42.32 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 CA-C-O 125.115 2.388 . . . . 0.0 109.697 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.51 61.85 3.95 Favored Glycine 0 N--CA 1.494 2.502 0 CA-C-N 110.486 -3.052 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 7.6 p -20.94 -51.67 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.2 m -132.38 -46.78 0.9 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 113.304 -1.771 . . . . 0.0 109.71 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -73.14 79.44 1.26 Allowed 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.828 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 116.582 -1.675 . . . . 0.0 110.767 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.256 0.551 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm -43.16 -47.51 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.491 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.36 6.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -132.95 -45.24 0.86 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mm -56.59 -46.64 82.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.25 -31.0 63.85 Favored 'General case' 0 N--CA 1.505 2.32 0 CA-C-O 123.276 1.512 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.553 HE21 HD12 ' A' ' 68' ' ' LEU . 13.0 mp0 -59.45 -17.5 31.7 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.817 -1.992 . . . . 0.0 112.068 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.07 -27.86 69.68 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.5 mp -88.2 -42.94 11.98 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.587 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD12 HE21 ' A' ' 65' ' ' GLN . 15.5 mt -65.58 -24.12 67.0 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.293 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -48.49 48.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 125.321 1.638 . . . . 0.0 106.779 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 ' H ' ' A' ' 70' ' ' ILE . 3.6 mp -54.41 -56.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 114.315 -1.311 . . . . 0.0 113.585 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -54.59 -40.5 68.9 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -81.85 -22.63 36.86 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.867 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -72.26 -48.6 41.38 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.375 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.88 -48.39 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-N 112.909 -1.951 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.79 46.45 Favored Glycine 0 N--CA 1.5 2.905 0 CA-C-O 122.918 1.288 . . . . 0.0 111.491 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 91.7 m -68.23 7.54 0.57 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -88.89 -39.1 14.04 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.466 ' NE2' HD11 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -41.61 -29.44 0.18 Allowed 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -179.503 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 t -148.11 31.59 0.84 Allowed 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 33.94 59.08 0.58 Allowed 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 123.746 1.736 . . . . 0.0 109.188 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.466 HD11 ' NE2' ' A' ' 78' ' ' HIS . 41.4 mm -52.53 -17.08 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-N 113.62 -1.627 . . . . 0.0 110.293 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -48.02 -24.29 3.17 Favored Glycine 0 N--CA 1.492 2.402 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.203 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.19 -22.01 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.406 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 81' ' ' ILE . 12.4 t -93.19 0.65 57.2 Favored 'General case' 0 N--CA 1.508 2.452 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.866 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 12.51 74.71 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 126.034 2.084 . . . . 0.0 113.886 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 . . . . . 0 N--CA 1.5 2.042 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.003 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.953 0.883 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 tt -51.56 -36.07 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.19 7.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.24 -47.05 1.1 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 179.281 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.31 -52.28 53.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 C-N-CA 118.786 -1.166 . . . . 0.0 112.152 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.35 -30.41 71.55 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.595 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 10.8 mp0 -61.75 -21.45 64.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.127 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.55 -26.52 63.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -86.09 -47.99 9.03 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.2 mt -56.89 -34.97 68.43 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.254 -1.378 . . . . 0.0 107.713 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -50.83 -41.55 57.71 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.803 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.3 -46.68 70.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 113.932 -1.485 . . . . 0.0 112.763 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.64 -26.35 65.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.05 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -38.46 12.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 59.4 ttt85 -66.99 -55.39 14.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 116.863 -1.935 . . . . 0.0 107.69 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.37 -24.2 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.065 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.11 -62.5 2.32 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 119.716 -1.23 . . . . 0.0 112.407 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.2 m -63.52 -5.23 3.54 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 73' ' ' ARG . 16.6 ttt-85 -82.42 -20.76 36.39 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 113.356 -1.747 . . . . 0.0 109.81 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -45.31 -30.22 1.22 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 124.235 0.959 . . . . 0.0 110.143 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.3 t -164.02 28.32 0.08 Allowed 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.087 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 46.23 59.29 3.88 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 123.487 1.613 . . . . 0.0 114.138 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mp -78.08 0.38 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.639 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.41 -27.38 47.45 Favored Glycine 0 N--CA 1.505 3.261 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.76 -19.86 22.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-N 114.189 -1.005 . . . . 0.0 110.645 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -141.56 -4.25 1.12 Allowed 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 28.48 50.35 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 116.168 -1.873 . . . . 0.0 111.029 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.338 0.589 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 tp -45.62 -48.6 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 CA-C-O 121.727 0.775 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -67.41 14.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -135.98 -44.62 0.65 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -58.98 -53.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.45 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.8 mm? -60.1 -31.61 70.2 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 117.531 -1.668 . . . . 0.0 111.804 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.2 mp0 -58.16 -23.12 54.18 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.661 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.39 -27.75 60.79 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.852 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.97 -45.73 11.21 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.7 mt -61.56 -37.77 85.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -40.4 -43.12 1.72 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 124.779 1.299 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.07 -55.8 17.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 118.148 -1.421 . . . . 0.0 112.513 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -75.55 -7.71 54.89 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.328 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 m-30 -102.88 -24.07 13.71 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -89.32 -54.94 3.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 117.187 -1.805 . . . . 0.0 108.493 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.9 mt -45.68 -41.56 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.19 -39.04 94.01 Favored Glycine 0 N--CA 1.503 3.151 0 C-N-CA 120.361 -0.923 . . . . 0.0 113.472 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.32 6.33 12.33 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -81.61 -25.8 35.4 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.878 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.593 ' CE1' HD13 ' A' ' 81' ' ' ILE . 2.4 p-80 -49.63 -38.44 32.13 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.659 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.419 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 4.2 m -159.13 29.11 0.21 Allowed 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? 49.82 12.78 0.08 Allowed 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 117.768 2.506 . . . . 0.0 117.768 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.593 HD13 ' CE1' ' A' ' 78' ' ' HIS . 3.9 mp -54.33 -25.1 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 C-N-CA 119.895 -0.722 . . . . 0.0 112.463 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.56 43.65 78.29 Favored Glycine 0 N--CA 1.499 2.847 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.788 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.456 HG13 HG23 ' A' ' 84' ' ' THR . 7.5 p -60.92 -34.93 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 114.032 -1.084 . . . . 0.0 111.907 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.456 HG23 HG13 ' A' ' 83' ' ' VAL . 41.0 p -94.19 -50.84 5.09 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.572 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 49.29 38.78 14.43 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.001 -1.909 . . . . 0.0 113.167 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 . . . . . 0 N--CA 1.505 2.321 0 CA-C-O 116.089 -1.91 . . . . 0.0 112.015 179.79 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.922 0.868 . . . . 0.0 108.804 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.446 ' C ' ' H ' ' A' ' 62' ' ' ARG . 47.4 mm -46.67 -45.35 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.763 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.523 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.55 26.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.716 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 60' ' ' ILE . 3.3 tpt180 -143.65 -51.15 0.33 Allowed 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -55.12 -53.45 34.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.872 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.2 mm? -68.45 -28.17 66.81 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.272 -1.771 . . . . 0.0 111.878 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.7 mp0 -59.84 -25.76 65.27 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.193 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -67.26 -27.73 67.45 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.525 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.04 -44.61 11.44 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.432 HD12 HE21 ' A' ' 65' ' ' GLN . 33.5 mt -58.75 -29.25 66.61 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.182 -1.407 . . . . 0.0 108.355 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -46.18 -46.87 17.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 125.179 1.549 . . . . 0.0 108.371 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.517 HD12 ' H ' ' A' ' 70' ' ' ILE . 4.2 mp -68.74 -51.98 40.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.47 -25.48 67.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.457 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 57.0 t80 -92.96 -38.21 11.8 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -71.51 -37.13 71.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 115.641 -2.424 . . . . 0.0 108.646 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.4 mt -80.06 -47.41 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.69 -51.54 48.01 Favored Glycine 0 N--CA 1.496 2.668 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.084 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.457 ' SG ' ' CZ ' ' A' ' 72' ' ' PHE . 71.7 m -69.69 3.13 2.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -31.68 57.16 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.533 ' CG ' ' N ' ' A' ' 79' ' ' SER . 2.8 p80 -45.26 -40.88 7.96 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.098 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.533 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 9.1 t 169.89 54.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.163 0 O-C-N 125.649 1.843 . . . . 0.0 109.471 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.1 ttm105 34.1 36.94 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.596 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.496 HD13 ' NE2' ' A' ' 78' ' ' HIS . 13.1 mm 40.71 48.27 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 CA-C-O 124.147 1.927 . . . . 0.0 110.336 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.05 26.45 3.11 Favored Glycine 0 N--CA 1.497 2.709 0 CA-C-N 112.446 -2.161 . . . . 0.0 113.09 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 84' ' ' THR . 12.4 p -50.97 -32.04 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER 152.77 -63.66 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.875 0 C-N-CA 126.536 1.935 . . . . 0.0 106.1 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.9 mtm-85 -70.1 71.71 0.41 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 113.809 -1.541 . . . . 0.0 111.266 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 116.02 -1.943 . . . . 0.0 109.207 179.736 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 60' ' ' ILE . 1.9 mp -46.34 -51.77 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 CA-C-O 122.396 1.093 . . . . 0.0 109.759 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -66.65 15.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 7.4 tpm_? -133.37 -40.61 0.89 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.44 -55.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.141 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.64 -30.22 68.57 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 122.647 1.213 . . . . 0.0 110.933 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.564 HE21 HD12 ' A' ' 68' ' ' LEU . 11.3 mp0 -61.56 -18.0 57.39 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 113.277 -1.783 . . . . 0.0 112.285 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.0 -29.06 66.04 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.76 -49.53 8.38 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.564 HD12 HE21 ' A' ' 65' ' ' GLN . 15.1 mt -58.76 -30.33 67.45 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 117.16 -1.816 . . . . 0.0 108.855 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -47.33 -48.41 25.41 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 124.762 1.289 . . . . 0.0 108.524 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.49 -50.48 80.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 112.916 -1.947 . . . . 0.0 113.081 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -64.34 -26.94 68.7 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 114.463 -1.244 . . . . 0.0 113.482 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 12.0 m-30 -83.83 -37.37 22.6 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -68.19 -46.61 70.17 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 116.992 -1.883 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.6 mt -70.71 -40.93 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.973 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.58 -50.02 25.8 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 99.3 m -60.49 0.94 0.15 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -85.34 -25.41 27.15 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.459 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -43.31 -30.6 0.53 Allowed 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 122.477 1.132 . . . . 0.0 112.146 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.8 m -147.74 27.2 0.99 Allowed 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.156 -1.383 . . . . 0.0 107.88 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 33.29 58.48 0.49 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 112.264 -2.244 . . . . 0.0 114.881 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.5 mp -54.42 -1.74 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.521 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.6 75.51 0.38 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 106.971 -2.452 . . . . 0.0 106.971 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 t -34.95 -29.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.13 -51.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.779 0.799 . . . . 0.0 109.948 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -88.69 162.24 16.39 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.111 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 116.189 -1.862 . . . . 0.0 110.08 179.865 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.404 0.621 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 62' ' ' ARG . 9.0 tp -54.37 -33.69 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.606 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.04 17.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.46 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -139.8 -41.06 0.44 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.346 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.72 -46.33 96.15 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.785 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.54 -33.42 71.13 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 122.687 1.232 . . . . 0.0 111.84 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.3 mp0 -53.61 -22.88 9.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.013 -1.903 . . . . 0.0 113.861 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -71.8 -29.84 64.88 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.983 0.897 . . . . 0.0 110.776 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -80.05 -45.01 19.06 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.49 -37.64 81.75 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 112.515 -2.129 . . . . 0.0 107.182 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -52.45 -48.29 65.92 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 113.018 -1.901 . . . . 0.0 107.179 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.395 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -68.83 -29.53 67.88 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.559 -1.256 . . . . 0.0 113.437 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.416 ' CD1' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -89.42 -37.78 14.56 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -65.69 -45.72 81.72 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 118.661 -1.215 . . . . 0.0 108.269 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -75.27 -46.41 38.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.18 -55.77 20.13 Favored Glycine 0 N--CA 1.501 2.98 0 C-N-CA 120.087 -1.054 . . . . 0.0 113.185 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.416 ' SG ' ' CD1' ' A' ' 72' ' ' PHE . 93.5 m -62.41 1.03 0.38 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -80.67 -23.21 39.78 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.526 ' CG ' ' N ' ' A' ' 79' ' ' SER . 2.5 p80 -54.26 -43.91 71.37 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 0.5 OUTLIER 175.7 53.31 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.132 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 34.55 40.53 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.565 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 81' ' ' ILE . 19.7 mm 38.42 41.47 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 CA-C-O 124.461 2.077 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -100.25 -21.46 13.3 Favored Glycine 0 N--CA 1.494 2.513 0 CA-C-N 112.093 -2.321 . . . . 0.0 114.155 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.8 t -51.62 -18.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-O 121.557 0.694 . . . . 0.0 112.371 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.1 p -67.57 -35.48 79.09 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.561 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -82.54 58.32 4.12 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.823 1.297 . . . . 0.0 108.331 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 116.354 -1.784 . . . . 0.0 109.62 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 120.929 0.395 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp -50.52 -48.55 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 CA-C-O 121.563 0.697 . . . . 0.0 109.239 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.544 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.92 24.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 114.447 -1.251 . . . . 0.0 114.134 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 60' ' ' ILE . 7.3 mtp180 -142.84 -37.66 0.37 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.31 -51.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.9 -31.37 68.55 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 118.134 -1.427 . . . . 0.0 110.515 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 6.4 mp0 -57.83 -20.23 34.58 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.928 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -68.63 -31.71 71.05 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.653 -0.819 . . . . 0.0 108.847 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.88 -45.65 16.47 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.71 -33.52 71.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.512 -1.676 . . . . 0.0 107.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.18 -41.87 72.48 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.24 -48.12 75.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -62.78 -29.03 70.39 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 113.746 -1.57 . . . . 0.0 112.942 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -90.33 -38.37 13.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -61.51 -44.34 97.25 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 117.894 -1.522 . . . . 0.0 108.718 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt -79.04 -43.28 24.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.445 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.88 -62.16 6.0 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.051 -1.071 . . . . 0.0 113.473 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 80' ' ' ARG . 61.4 m -54.76 -3.71 0.05 Allowed 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -26.63 61.22 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 79' ' ' SER . 7.9 p80 -53.04 -37.54 61.66 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.331 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 41.3 t 171.56 48.24 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.529 0 O-C-N 124.413 1.07 . . . . 0.0 109.107 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' H ' ' A' ' 82' ' ' GLY . 27.1 ttm180 41.41 33.43 0.28 Allowed 'General case' 0 N--CA 1.505 2.31 0 CA-C-O 121.84 0.829 . . . . 0.0 112.286 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 81' ' ' ILE . 28.5 mm 53.76 7.57 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 122.231 1.015 . . . . 0.0 112.724 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 80' ' ' ARG . . . -42.0 -37.35 2.17 Favored Glycine 0 N--CA 1.5 2.949 0 CA-C-N 115.341 -0.845 . . . . 0.0 113.871 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.7 t -51.44 -32.71 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-N 114.364 -0.918 . . . . 0.0 109.592 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.1 p -146.12 84.72 1.65 Allowed 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.018 -1.446 . . . . 0.0 108.383 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -71.46 82.31 0.8 Allowed 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.099 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 N--CA 1.49 1.563 0 CA-C-N 113.812 -1.54 . . . . 0.0 106.976 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.309 0.576 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 tt -46.82 -43.69 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.142 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.1 pp -67.38 6.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 mtt-85 -129.68 -41.85 1.32 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mt -60.17 -54.24 37.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 C-N-CA 119.091 -1.044 . . . . 0.0 111.967 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.24 -30.74 71.79 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 117.834 -1.546 . . . . 0.0 109.024 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.631 HE21 HD12 ' A' ' 68' ' ' LEU . 14.4 mp0 -64.12 -17.42 63.44 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.409 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -69.23 -26.46 64.81 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.6 mp -88.63 -48.0 7.87 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD12 HE21 ' A' ' 65' ' ' GLN . 16.8 mt -60.35 -29.24 68.78 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 117.206 -1.798 . . . . 0.0 108.143 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -49.77 -44.55 48.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.656 1.223 . . . . 0.0 107.981 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 mt -65.16 -47.3 88.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.53 -29.21 66.76 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.736 -0.786 . . . . 0.0 112.625 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -82.82 -35.91 25.99 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -60.93 2.38 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt -54.94 -49.5 70.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.07 -55.17 19.9 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.912 -1.137 . . . . 0.0 111.231 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.3 m -62.91 -1.5 0.92 Allowed 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 41.4 ttt85 -83.45 -22.15 32.69 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 79' ' ' SER . 22.1 p-80 -44.27 -35.3 2.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.071 0.857 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 46.8 t -165.09 27.32 0.06 Allowed 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.91 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 34.59 42.38 0.07 Allowed 'General case' 0 N--CA 1.505 2.275 0 CA-C-O 122.99 1.376 . . . . 0.0 112.033 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.437 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.4 mp 44.55 18.13 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 CA-C-O 123.934 1.826 . . . . 0.0 114.869 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 85' ' ' ARG . . . -67.85 31.36 0.23 Allowed Glycine 0 N--CA 1.495 2.622 0 CA-C-N 114.102 -1.408 . . . . 0.0 115.531 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.6 t -70.23 -25.12 26.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.4 p -138.94 -65.25 0.49 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.021 0.915 . . . . 0.0 108.663 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' O ' ' HA2' ' A' ' 82' ' ' GLY . 3.3 ttt-85 -67.19 152.13 46.3 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 116.417 -1.754 . . . . 0.0 110.424 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 tp -50.92 -32.19 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.595 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -67.33 -9.2 9.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 C-N-CA 119.285 -0.966 . . . . 0.0 113.164 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 25.6 mtp85 -116.93 -43.82 2.85 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -50.82 -48.53 28.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.377 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.4 mt -76.89 -33.48 57.81 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.953 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.532 HE21 HD12 ' A' ' 68' ' ' LEU . 16.4 mp0 -62.28 -16.87 56.54 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 112.863 -1.971 . . . . 0.0 114.168 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 96.1 mt-30 -69.6 -26.21 64.34 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -85.97 -51.91 6.05 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.945 -2.242 . . . . 0.0 104.945 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.532 HD12 HE21 ' A' ' 65' ' ' GLN . 19.6 mt -54.3 -32.0 55.36 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.366 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -50.07 -44.43 51.72 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 113.9 -1.5 . . . . 0.0 108.269 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.13 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.782 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -68.36 -33.73 74.81 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.636 -0.825 . . . . 0.0 112.386 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.51 -35.18 25.04 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -67.09 -50.69 60.76 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 118.075 -1.45 . . . . 0.0 109.671 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mt -68.96 -49.46 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' ND1' ' A' ' 78' ' ' HIS . . . -46.85 -56.42 7.56 Favored Glycine 0 N--CA 1.489 2.18 0 C-N-CA 120.151 -1.023 . . . . 0.0 111.89 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.5 ' HA ' ' CE1' ' A' ' 78' ' ' HIS . 71.6 m -64.46 2.12 0.68 Allowed 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -81.3 -14.66 57.12 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 76' ' ' CYS . 8.0 p-80 -47.21 -36.53 8.93 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.697 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.434 ' N ' ' CD2' ' A' ' 78' ' ' HIS . 0.4 OUTLIER 170.01 29.32 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.543 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 24.19 51.51 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 124.023 1.868 . . . . 0.0 113.54 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 48.8 mm -60.83 -12.62 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-N 112.256 -2.247 . . . . 0.0 111.013 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' THR . . . 80.56 -50.62 4.09 Favored Glycine 0 N--CA 1.495 2.602 0 CA-C-N 114.484 -1.234 . . . . 0.0 112.111 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.6 t -35.76 -20.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' GLY . 28.0 m 68.33 -45.81 0.52 Allowed 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -99.67 20.22 14.43 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 122.548 1.166 . . . . 0.0 111.89 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.504 2.236 0 CA-C-O 116.856 -1.545 . . . . 0.0 107.335 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.821 0.82 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.405 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.2 mm -47.36 -40.55 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.84 9.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 60' ' ' ILE . 7.9 tpp85 -136.68 -39.85 0.63 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.2 -49.8 82.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.706 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.78 -33.31 75.56 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 122.89 1.329 . . . . 0.0 112.176 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.493 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 4.0 mp0 -54.44 -20.48 7.61 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.177 -1.829 . . . . 0.0 113.817 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.29 -32.97 67.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 122.206 1.003 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 67' ' ' LEU . 5.9 mp -74.11 -45.82 46.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.68 -38.27 89.71 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 112.343 -2.208 . . . . 0.0 106.202 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.3 -53.11 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.98 -38.97 82.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 C-N-CA 118.911 -1.116 . . . . 0.0 113.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -68.19 -30.56 69.68 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.002 -1.079 . . . . 0.0 113.352 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -37.77 14.42 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -66.59 -43.32 85.2 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.033 -1.44 . . . . 0.0 108.264 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.3 mt -73.77 -28.04 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 118.519 -1.272 . . . . 0.0 107.828 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 77' ' ' ARG . . . -68.39 -62.66 4.0 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.403 ' HB3' ' HB ' ' A' ' 81' ' ' ILE . 87.6 m -54.66 7.85 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -86.88 -35.34 19.04 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.521 ' CG ' ' N ' ' A' ' 79' ' ' SER . 6.0 p80 -34.3 -45.76 0.23 Allowed 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 114.662 -1.154 . . . . 0.0 113.103 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.521 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 73.0 m -129.84 23.0 5.37 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 114.127 -1.397 . . . . 0.0 109.421 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 35.7 67.42 0.28 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 127.689 2.396 . . . . 0.0 114.778 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.444 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.7 mp -68.06 2.31 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.358 0 CA-C-N 112.037 -2.347 . . . . 0.0 112.161 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -101.65 -100.86 2.49 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -41.0 -69.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 CA-C-N 115.188 -0.506 . . . . 0.0 112.265 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.8 m 73.68 -59.9 0.55 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 124.322 1.014 . . . . 0.0 108.569 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -154.31 160.49 41.77 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 116.166 -1.874 . . . . 0.0 107.285 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.982 0.42 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.3 tp -52.63 -34.87 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.325 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.586 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.62 10.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -136.99 -35.51 0.7 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.45 -46.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.341 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.98 -33.21 73.31 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.833 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 4.7 mp0 -51.77 -24.32 5.78 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.5 -1.682 . . . . 0.0 113.11 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -71.65 -32.65 68.14 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.45 -0.9 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.68 -44.17 28.84 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.39 -34.39 77.63 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.054 -1.885 . . . . 0.0 107.171 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 78.3 t80 -54.57 -56.85 14.65 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 mt -60.95 -41.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -68.32 -31.71 71.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.198 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -85.91 -35.89 20.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 3.7 tpp180 -62.32 -66.46 0.54 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.185 -1.825 . . . . 0.0 106.497 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.46 -45.48 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.66 -54.0 12.02 Favored Glycine 0 N--CA 1.496 2.679 0 C-N-CA 120.004 -1.093 . . . . 0.0 112.066 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.9 m -71.86 -3.77 24.25 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 77' ' ' ARG . 3.4 mmp_? -87.73 -19.77 27.12 Favored 'General case' 0 C--N 1.289 -2.029 0 C-N-CA 118.97 -1.092 . . . . 0.0 111.659 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.413 ' NE2' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -69.01 -38.86 79.47 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 118.075 -1.45 . . . . 0.0 108.708 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -171.42 35.21 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.834 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 44.05 62.66 1.88 Allowed 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 124.722 2.201 . . . . 0.0 115.547 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.413 HD11 ' NE2' ' A' ' 78' ' ' HIS . 27.0 mm -55.9 -11.72 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 CA-C-N 112.718 -2.037 . . . . 0.0 111.032 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.46 -32.66 23.56 Favored Glycine 0 N--CA 1.505 3.278 0 N-CA-C 107.406 -2.277 . . . . 0.0 107.406 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.76 16.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 113.414 -1.393 . . . . 0.0 111.204 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.6 m -55.77 -25.76 42.55 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 20.89 83.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 125.247 1.592 . . . . 0.0 114.762 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.499 1.978 0 CA-C-O 116.892 -1.528 . . . . 0.0 112.193 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.9 mp -48.43 -46.59 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.638 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.575 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -69.53 15.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.636 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 60' ' ' ILE . 38.9 mmt180 -134.0 -46.52 0.79 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.58 -50.87 75.85 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.484 -0.886 . . . . 0.0 112.619 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -69.14 -25.03 64.18 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 117.685 -1.606 . . . . 0.0 112.483 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 7.1 mp0 -64.26 -16.55 62.31 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -75.71 -34.99 60.39 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.03 0.919 . . . . 0.0 112.056 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -69.79 -42.83 73.24 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.95 -38.64 79.58 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -50.51 -46.54 57.25 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 117.861 -1.536 . . . . 0.0 107.613 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -73.74 -46.95 45.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -67.99 -18.69 64.8 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.735 -0.786 . . . . 0.0 112.482 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -97.99 -47.47 5.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 73' ' ' ARG . 20.7 tpt180 -64.15 -40.24 95.73 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 116.902 -1.919 . . . . 0.0 109.03 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mt -71.34 -39.26 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.98 -45.37 61.93 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.4 m -60.15 -5.74 1.18 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -87.57 -12.26 46.27 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.182 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CG ' ' N ' ' A' ' 79' ' ' SER . 8.3 p80 -52.69 -35.01 54.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 124.103 0.877 . . . . 0.0 108.903 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 39.0 t 170.83 29.63 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 113.342 -1.753 . . . . 0.0 109.681 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 82' ' ' GLY . 25.9 ttt180 36.87 43.74 0.31 Allowed 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 123.071 1.415 . . . . 0.0 111.588 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.7 mm 58.91 -10.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-N 113.123 -1.853 . . . . 0.0 115.956 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 80' ' ' ARG . . . -42.68 -23.04 0.16 Allowed Glycine 0 N--CA 1.501 2.993 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.816 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 t -52.27 -22.91 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 CA-C-O 121.048 0.451 . . . . 0.0 110.489 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.7 m 64.0 31.23 13.79 Favored 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 123.03 1.395 . . . . 0.0 113.166 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -67.2 102.17 1.01 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.492 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.497 1.885 0 CA-C-O 117.102 -1.428 . . . . 0.0 111.029 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.742 0.782 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 62' ' ' ARG . 43.8 mm -43.51 -45.14 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.176 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.566 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -68.62 17.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -179.691 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 60' ' ' ILE . 39.7 mtt180 -143.63 -40.32 0.3 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -45.04 92.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.544 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.78 -33.31 40.66 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.304 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 5.3 mp0 -51.51 -27.57 11.04 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.336 -1.756 . . . . 0.0 114.722 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.25 -30.74 66.69 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.857 0.837 . . . . 0.0 112.101 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -79.04 -43.28 24.58 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.44 -36.98 85.54 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.153 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.8 -50.28 61.1 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.751 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.83 -44.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.613 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -70.75 -15.28 62.67 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.592 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -97.78 -40.14 8.69 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.85 -64.13 0.93 Allowed 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.447 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -50.48 -32.88 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.357 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.44 -19.8 67.03 Favored Glycine 0 N--CA 1.506 3.342 0 C-N-CA 117.307 -2.377 . . . . 0.0 113.874 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 98.1 m -101.77 1.77 37.66 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -53.58 17.85 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.622 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -35.64 -33.45 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.2 m -145.8 26.18 1.27 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.459 0.647 . . . . 0.0 110.938 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 35.89 54.44 0.93 Allowed 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.806 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mp -48.83 -20.15 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.746 0 CA-C-O 122.197 0.999 . . . . 0.0 113.632 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.15 -33.98 38.93 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.27 -24.52 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-N 114.604 -0.798 . . . . 0.0 111.959 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.7 m -68.13 -22.27 64.88 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.892 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -76.74 86.16 3.36 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 118.157 -1.417 . . . . 0.0 107.994 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 N--CA 1.499 2.023 0 CA-C-O 117.649 -1.167 . . . . 0.0 113.713 179.767 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mm -44.09 -46.72 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.591 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -63.67 0.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.28 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -127.96 -35.38 2.07 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.58 -47.93 90.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD11 HE22 ' A' ' 65' ' ' GLN . 4.6 pp -90.44 -11.28 40.88 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 116.769 -1.972 . . . . 0.0 113.7 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.623 HE22 HD11 ' A' ' 64' ' ' LEU . 6.4 mp0 -58.92 -18.94 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.446 0.641 . . . . 0.0 111.978 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.65 -30.24 65.53 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.832 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -81.79 -44.8 16.48 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.247 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.501 ' HG ' ' HA ' ' A' ' 65' ' ' GLN . 3.4 pp -72.12 -24.42 61.47 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 115.253 -2.579 . . . . 0.0 108.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.493 ' N ' HD12 ' A' ' 68' ' ' LEU . 24.8 t80 -51.04 -51.21 55.47 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 mt -54.17 -54.99 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 113.556 -1.656 . . . . 0.0 113.203 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -54.41 -34.36 61.16 Favored 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 119.246 -0.982 . . . . 0.0 113.364 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.37 -34.08 28.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -42.48 89.08 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.753 -1.567 . . . . 0.0 107.075 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.2 mt -71.77 -47.83 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.99 -36.45 51.44 Favored Glycine 0 N--CA 1.497 2.719 0 C-N-CA 120.161 -1.019 . . . . 0.0 111.066 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' ARG . 71.4 m -60.19 -15.19 22.08 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 122.748 1.261 . . . . 0.0 114.294 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -67.78 -20.11 65.17 Favored 'General case' 0 C--N 1.287 -2.146 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.461 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 4.6 p80 -53.67 -30.5 43.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 123.734 0.647 . . . . 0.0 110.142 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 38.6 t -172.73 30.26 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.691 0 O-C-N 124.232 0.957 . . . . 0.0 112.078 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' CYS . 52.6 ttp180 27.66 51.76 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.402 0 CA-C-O 123.443 1.592 . . . . 0.0 110.646 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.0 mm 33.9 58.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 111.019 -2.809 . . . . 0.0 111.041 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.3 -22.54 44.52 Favored Glycine 0 N--CA 1.505 3.263 0 CA-C-N 112.546 -2.115 . . . . 0.0 111.043 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.8 t -66.34 -17.56 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.4 m 99.79 122.87 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 127.298 2.239 . . . . 0.0 105.378 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -75.47 173.45 10.95 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 116.376 -1.774 . . . . 0.0 108.902 179.828 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.735 0.779 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.7 mp -51.6 -42.78 30.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.705 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.613 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.31 17.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -179.496 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 60' ' ' ILE . 85.6 mtt180 -135.76 -47.6 0.68 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mt -56.13 -52.4 51.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.778 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.19 -30.72 70.59 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 117.79 -1.564 . . . . 0.0 111.384 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.482 ' HA ' ' HG ' ' A' ' 68' ' ' LEU . 15.2 mp0 -68.26 -20.32 64.79 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 113.326 -1.761 . . . . 0.0 114.049 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.38 -34.21 58.88 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.991 0.9 . . . . 0.0 110.663 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.97 -50.26 13.61 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.855 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' HA ' ' A' ' 65' ' ' GLN . 3.7 pp -65.56 -27.77 68.67 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 114.632 -2.827 . . . . 0.0 108.821 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' N ' HD12 ' A' ' 68' ' ' LEU . 51.4 t80 -55.57 -49.37 72.91 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 117.79 -1.564 . . . . 0.0 107.89 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.4 mt -66.87 -40.08 85.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.634 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -66.32 -29.24 69.4 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.943 -1.103 . . . . 0.0 112.711 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -41.74 11.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -58.42 -61.46 2.57 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.2 mt -57.1 -42.08 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -45.83 -35.35 6.0 Favored Glycine 0 N--CA 1.489 2.22 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.106 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.2 m -107.23 0.23 23.11 Favored 'General case' 0 N--CA 1.508 2.454 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -83.71 -13.54 53.8 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 113.313 -1.767 . . . . 0.0 108.041 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 79' ' ' SER . 6.7 p-80 -42.51 -31.62 0.46 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.56 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.486 ' N ' ' CD2' ' A' ' 78' ' ' HIS . 45.8 t 159.82 32.96 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.666 0 O-C-N 126.03 2.081 . . . . 0.0 109.512 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 30.93 36.94 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 CA-C-O 122.414 1.102 . . . . 0.0 113.794 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.486 HG12 ' CD2' ' A' ' 78' ' ' HIS . 46.8 mm -53.57 -27.08 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 CA-C-O 124.004 1.859 . . . . 0.0 108.772 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.3 -14.39 2.19 Favored Glycine 0 N--CA 1.489 2.224 0 CA-C-N 111.389 -2.641 . . . . 0.0 111.347 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.2 p -50.67 -34.84 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-O 121.799 0.809 . . . . 0.0 111.397 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 t -64.74 -17.38 64.09 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 118.751 -1.18 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 28.16 42.28 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 O-C-N 126.337 2.273 . . . . 0.0 112.96 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 114.359 -2.734 . . . . 0.0 107.344 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.424 ' C ' ' H ' ' A' ' 62' ' ' ARG . 2.7 tt -50.64 -38.13 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 C-N-CA 119.181 -1.007 . . . . 0.0 111.747 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.578 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -70.83 12.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' H ' ' C ' ' A' ' 60' ' ' ILE . 34.3 mtp-105 -135.35 -41.81 0.71 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.83 -48.91 86.78 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.41 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.9 -31.49 72.75 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 117.94 -1.504 . . . . 0.0 111.871 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.491 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 4.9 mp0 -57.22 -21.6 34.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.354 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.19 -27.36 61.59 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.178 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -83.04 -41.14 19.01 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.4 -37.13 86.09 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 105.604 -1.998 . . . . 0.0 105.604 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.96 -41.73 62.33 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 113.81 -1.541 . . . . 0.0 107.011 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.66 -53.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -70.73 -11.54 61.01 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 117.759 -1.577 . . . . 0.0 114.425 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -105.1 -30.08 9.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.89 -47.34 9.75 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.053 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mt -52.33 -38.6 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 C-N-CA 118.591 -1.244 . . . . 0.0 110.363 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.25 -18.32 62.72 Favored Glycine 0 N--CA 1.502 3.067 0 C-N-CA 118.846 -1.645 . . . . 0.0 114.15 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.4 m -109.81 -6.31 15.29 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -71.29 -30.48 66.3 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 113.587 -1.642 . . . . 0.0 111.368 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' NE2' HD13 ' A' ' 81' ' ' ILE . 1.1 p80 -52.49 -32.41 39.91 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.526 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -157.25 27.22 0.3 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 49.06 48.31 20.94 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.039 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.414 HD13 ' NE2' ' A' ' 78' ' ' HIS . 1.3 mp -56.16 -13.16 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.21 -61.2 2.69 Favored Glycine 0 N--CA 1.492 2.387 0 CA-C-O 122.269 0.927 . . . . 0.0 112.037 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' A' ' 85' ' ' ARG . 42.1 t -91.69 -20.83 6.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 113.745 -1.228 . . . . 0.0 112.026 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.2 p 51.85 -9.51 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 116.995 2.221 . . . . 0.0 116.995 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -75.38 72.97 2.44 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 . . . . . 0 N--CA 1.503 2.177 0 CA-C-O 115.972 -1.966 . . . . 0.0 110.785 179.59 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.277 0.561 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.468 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.6 mm -44.97 -48.66 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.545 ' H ' HD13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -65.83 14.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 60' ' ' ILE . 51.0 ttt180 -137.83 -38.15 0.58 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.05 -48.68 87.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -32.88 74.47 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.201 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 4.5 mp0 -56.52 -20.92 22.77 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 113.223 -1.808 . . . . 0.0 114.209 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.57 -31.4 65.21 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.093 0.949 . . . . 0.0 111.497 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -77.34 -46.18 23.72 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.51 -39.13 89.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 112.465 -2.152 . . . . 0.0 106.683 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.39 -48.64 62.53 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 113.768 -1.56 . . . . 0.0 107.922 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.47 -43.59 87.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-N 114.347 -1.297 . . . . 0.0 112.857 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -65.45 -31.26 72.25 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -94.39 -33.26 13.22 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.39 -49.28 67.37 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 117.145 -1.822 . . . . 0.0 106.086 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.02 -49.86 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.576 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.42 -55.44 29.64 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 116.131 1.212 . . . . 0.0 116.131 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 75.5 m -66.66 -6.12 14.34 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -82.78 -20.39 35.93 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.048 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.425 ' CD2' HG12 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -65.23 -40.28 93.86 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.105 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 t -176.54 37.97 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 123.671 0.607 . . . . 0.0 110.662 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 40.23 52.06 2.78 Favored 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 78' ' ' HIS . 26.9 mm -49.57 -25.55 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.373 0 CA-C-N 114.787 -1.097 . . . . 0.0 113.193 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -49.41 -25.04 5.79 Favored Glycine 0 N--CA 1.494 2.554 0 CA-C-N 113.561 -1.654 . . . . 0.0 113.817 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.13 -24.84 30.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.657 0.742 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.6 p -130.12 -58.74 1.06 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.939 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 42.3 26.0 0.05 Allowed 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 122.524 1.154 . . . . 0.0 113.144 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 116.222 -1.847 . . . . 0.0 107.115 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.5 2.044 0 CA-C-O 120.898 0.38 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.34 13.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-O 122.106 0.955 . . . . 0.0 112.996 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.482 ' N ' HE21 ' A' ' 65' ' ' GLN . 10.7 mmm-85 -131.4 -47.05 0.98 Allowed 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -55.69 -56.11 13.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.2 -34.44 76.46 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.327 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.702 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -63.15 -19.16 64.21 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.486 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.9 -28.74 66.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -86.51 -49.37 7.62 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.73 -29.5 66.76 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 117.722 -1.591 . . . . 0.0 107.96 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -41.89 60.28 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.988 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 22.2 mm -65.49 -49.63 77.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 113.799 -1.546 . . . . 0.0 114.724 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -68.26 -20.05 64.77 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.913 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -83.88 -47.49 11.01 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -58.55 -63.53 1.25 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.991 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.4 mt . . . . . 0 N--CA 1.497 1.899 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.76 -179.682 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.504 2.274 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.589 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -64.68 13.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.457 ' CA ' HE21 ' A' ' 65' ' ' GLN . 20.8 mtp-105 -135.3 -37.63 0.77 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.59 -51.26 65.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.181 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 64' ' ' LEU . 7.8 mp -57.55 -35.29 70.13 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.362 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.745 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.3 mp0 -61.59 -20.97 63.91 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.808 -1.996 . . . . 0.0 113.016 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -78.55 -29.85 46.57 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.145 -1.022 . . . . 0.0 111.855 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.47 -44.15 65.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.1 -37.35 81.08 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 53.5 t80 -51.43 -51.53 54.04 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.1 mt -60.83 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 C-N-CA 119.051 -1.06 . . . . 0.0 112.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -65.03 -24.88 67.61 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -94.36 -37.75 11.32 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -69.45 -38.91 78.0 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.5 mt . . . . . 0 N--CA 1.49 1.567 0 C-N-CA 118.495 -1.282 . . . . 0.0 108.175 179.479 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.464 ' C ' ' H ' ' A' ' 62' ' ' ARG . 45.8 mm . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 121.496 0.665 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.574 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.76 27.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.901 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.61 ' N ' HE21 ' A' ' 65' ' ' GLN . 2.9 tpt180 -144.42 -49.96 0.28 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.07 -50.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.829 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.3 mm? -71.66 -23.1 61.62 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 118.797 -1.161 . . . . 0.0 113.149 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.658 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.4 mp0 -58.81 -19.65 43.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.705 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.92 -30.48 68.96 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.683 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -44.2 20.45 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.5 -34.06 74.86 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 112.974 -1.921 . . . . 0.0 107.311 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.78 -40.97 76.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 113.854 -1.521 . . . . 0.0 108.031 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.6 -44.88 76.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.695 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -67.57 -31.09 70.92 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.301 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -85.75 -39.92 16.63 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -67.6 -48.53 66.57 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 116.464 -2.095 . . . . 0.0 109.575 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 N--CA 1.493 1.688 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.456 179.742 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 N--CA 1.502 2.132 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.532 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -64.36 6.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.426 ' N ' HE21 ' A' ' 65' ' ' GLN . 25.8 ttm-85 -132.95 -45.24 0.86 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mm -56.59 -46.64 82.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.25 -31.0 63.85 Favored 'General case' 0 N--CA 1.505 2.32 0 CA-C-O 123.276 1.512 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.677 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -59.45 -17.5 31.7 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.817 -1.992 . . . . 0.0 112.068 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.07 -27.86 69.68 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.5 mp -88.2 -42.94 11.98 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.587 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.58 -24.12 67.0 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.293 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -48.49 48.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 125.321 1.638 . . . . 0.0 106.779 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 ' H ' ' A' ' 70' ' ' ILE . 3.6 mp -54.41 -56.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 114.315 -1.311 . . . . 0.0 113.585 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -54.59 -40.5 68.9 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -81.85 -22.63 36.86 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.867 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -72.26 -48.6 41.38 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.375 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.493 1.712 0 CA-C-N 112.909 -1.951 . . . . 0.0 111.015 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.19 7.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' N ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.24 -47.05 1.1 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 179.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.31 -52.28 53.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 C-N-CA 118.786 -1.166 . . . . 0.0 112.152 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.35 -30.41 71.55 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.595 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.703 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -61.75 -21.45 64.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.127 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.55 -26.52 63.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -86.09 -47.99 9.03 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.2 mt -56.89 -34.97 68.43 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.254 -1.378 . . . . 0.0 107.713 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -50.83 -41.55 57.71 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.803 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.3 -46.68 70.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 113.932 -1.485 . . . . 0.0 112.763 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.64 -26.35 65.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.05 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -38.46 12.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -66.99 -55.39 14.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 116.863 -1.935 . . . . 0.0 107.69 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.494 1.743 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.065 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.502 2.158 0 CA-C-O 121.727 0.775 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.52 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -67.41 14.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.552 ' N ' HE21 ' A' ' 65' ' ' GLN . 20.4 tpp85 -135.98 -44.62 0.65 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -58.98 -53.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.45 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.8 mm? -60.1 -31.61 70.2 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 117.531 -1.668 . . . . 0.0 111.804 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.721 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.6 mp0 -58.16 -23.12 54.18 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.661 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.39 -27.75 60.79 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.852 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.97 -45.73 11.21 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.7 mt -61.56 -37.77 85.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -40.4 -43.12 1.72 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 124.779 1.299 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.07 -55.8 17.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 118.148 -1.421 . . . . 0.0 112.513 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -75.55 -7.71 54.89 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.328 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 m-30 -102.88 -24.07 13.71 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -89.32 -54.94 3.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 117.187 -1.805 . . . . 0.0 108.493 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.446 ' C ' ' H ' ' A' ' 62' ' ' ARG . 47.4 mm . . . . . 0 N--CA 1.504 2.256 0 CA-C-O 121.116 0.484 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.523 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.55 26.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.716 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.62 ' N ' HE21 ' A' ' 65' ' ' GLN . 3.3 tpt180 -143.65 -51.15 0.33 Allowed 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -55.12 -53.45 34.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.872 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.2 mm? -68.45 -28.17 66.81 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.272 -1.771 . . . . 0.0 111.878 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.679 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.5 mp0 -59.84 -25.76 65.27 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.193 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -67.26 -27.73 67.45 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.525 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.04 -44.61 11.44 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 33.5 mt -58.75 -29.25 66.61 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.182 -1.407 . . . . 0.0 108.355 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -46.18 -46.87 17.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 125.179 1.549 . . . . 0.0 108.371 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.517 HD12 ' H ' ' A' ' 70' ' ' ILE . 4.2 mp -68.74 -51.98 40.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.47 -25.48 67.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -92.96 -38.21 11.8 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -71.51 -37.13 71.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 115.641 -2.424 . . . . 0.0 108.646 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.4 mt . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.448 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.503 2.194 0 CA-C-O 122.396 1.093 . . . . 0.0 109.759 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.565 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -66.65 15.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.508 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.4 tpm_? -133.37 -40.61 0.89 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.44 -55.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.141 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.64 -30.22 68.57 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 122.647 1.213 . . . . 0.0 110.933 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.698 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -61.56 -18.0 57.39 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 113.277 -1.783 . . . . 0.0 112.285 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.0 -29.06 66.04 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.76 -49.53 8.38 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 15.1 mt -58.76 -30.33 67.45 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 117.16 -1.816 . . . . 0.0 108.855 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -47.33 -48.41 25.41 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 124.762 1.289 . . . . 0.0 108.524 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.49 -50.48 80.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 112.916 -1.947 . . . . 0.0 113.081 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -64.34 -26.94 68.7 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 114.463 -1.244 . . . . 0.0 113.482 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 12.0 m-30 -83.83 -37.37 22.6 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -68.19 -46.61 70.17 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 116.992 -1.883 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.6 mt . . . . . 0 N--CA 1.495 1.821 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.973 179.779 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 62' ' ' ARG . 9.0 tp . . . . . 0 N--CA 1.5 2.027 0 CA-C-O 121.22 0.533 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.606 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.04 17.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.46 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.589 ' N ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -139.8 -41.06 0.44 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.346 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.72 -46.33 96.15 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.785 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.54 -33.42 71.13 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 122.687 1.232 . . . . 0.0 111.84 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.695 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -53.61 -22.88 9.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.013 -1.903 . . . . 0.0 113.861 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -71.8 -29.84 64.88 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.983 0.897 . . . . 0.0 110.776 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -80.05 -45.01 19.06 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.49 -37.64 81.75 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 112.515 -2.129 . . . . 0.0 107.182 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -52.45 -48.29 65.92 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 113.018 -1.901 . . . . 0.0 107.179 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.395 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -68.83 -29.53 67.88 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.559 -1.256 . . . . 0.0 113.437 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.42 -37.78 14.56 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -65.69 -45.72 81.72 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 118.661 -1.215 . . . . 0.0 108.269 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 C--N 1.304 -1.396 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.614 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp . . . . . 0 N--CA 1.505 2.283 0 CA-C-O 121.563 0.697 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.92 24.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 114.447 -1.251 . . . . 0.0 114.134 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.602 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.3 mtp180 -142.84 -37.66 0.37 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.31 -51.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.9 -31.37 68.55 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 118.134 -1.427 . . . . 0.0 110.515 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.691 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.7 mp0 -57.83 -20.23 34.58 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.928 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -68.63 -31.71 71.05 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.653 -0.819 . . . . 0.0 108.847 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.88 -45.65 16.47 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.71 -33.52 71.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.512 -1.676 . . . . 0.0 107.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.18 -41.87 72.48 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.24 -48.12 75.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -62.78 -29.03 70.39 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 113.746 -1.57 . . . . 0.0 112.942 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -90.33 -38.37 13.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -61.51 -44.34 97.25 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 117.894 -1.522 . . . . 0.0 108.718 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt . . . . . 0 C--N 1.303 -1.446 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.445 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.501 2.113 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.5 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.1 pp -67.38 6.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.414 ' N ' HE21 ' A' ' 65' ' ' GLN . 41.0 mtt-85 -129.68 -41.85 1.32 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mt -60.17 -54.24 37.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 C-N-CA 119.091 -1.044 . . . . 0.0 111.967 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.24 -30.74 71.79 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 117.834 -1.546 . . . . 0.0 109.024 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.67 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -64.12 -17.42 63.44 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.409 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -69.23 -26.46 64.81 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.6 mp -88.63 -48.0 7.87 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.35 -29.24 68.78 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 117.206 -1.798 . . . . 0.0 108.143 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -49.77 -44.55 48.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.656 1.223 . . . . 0.0 107.981 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 mt -65.16 -47.3 88.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.53 -29.21 66.76 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.736 -0.786 . . . . 0.0 112.625 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -82.82 -35.91 25.99 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -60.93 2.38 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.595 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -67.33 -9.2 9.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 C-N-CA 119.285 -0.966 . . . . 0.0 113.164 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 25.6 mtp85 -116.93 -43.82 2.85 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -50.82 -48.53 28.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.377 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.4 mt -76.89 -33.48 57.81 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.953 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.682 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -62.28 -16.87 56.54 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 112.863 -1.971 . . . . 0.0 114.168 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 24.4 mt-30 -69.6 -26.21 64.34 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -85.97 -51.91 6.05 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.945 -2.242 . . . . 0.0 104.945 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.3 -32.0 55.36 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.366 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -50.07 -44.43 51.72 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 113.9 -1.5 . . . . 0.0 108.269 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.13 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.782 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -68.36 -33.73 74.81 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.636 -0.825 . . . . 0.0 112.386 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.51 -35.18 25.04 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -67.09 -50.69 60.76 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 118.075 -1.45 . . . . 0.0 109.671 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 179.598 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.405 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.2 mm . . . . . 0 N--CA 1.5 2.049 0 CA-C-O 121.158 0.504 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.473 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -66.84 9.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.562 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.9 tpp85 -136.68 -39.85 0.63 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.2 -49.8 82.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.706 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.78 -33.31 75.56 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 122.89 1.329 . . . . 0.0 112.176 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.634 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -54.44 -20.48 7.61 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.177 -1.829 . . . . 0.0 113.817 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.29 -32.97 67.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 122.206 1.003 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -74.11 -45.82 46.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.68 -38.27 89.71 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 112.343 -2.208 . . . . 0.0 106.202 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.3 -53.11 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.98 -38.97 82.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 C-N-CA 118.911 -1.116 . . . . 0.0 113.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -68.19 -30.56 69.68 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.002 -1.079 . . . . 0.0 113.352 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -37.77 14.42 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -66.59 -43.32 85.2 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.033 -1.44 . . . . 0.0 108.264 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.3 mt . . . . . 0 N--CA 1.493 1.693 0 C-N-CA 118.519 -1.272 . . . . 0.0 107.828 179.558 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.3 tp . . . . . 0 N--CA 1.5 2.034 0 CA-C-O 121.137 0.494 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.62 10.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.539 ' N ' HE21 ' A' ' 65' ' ' GLN . 1.1 mtt85 -136.99 -35.51 0.7 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.45 -46.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.341 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.98 -33.21 73.31 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.833 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.683 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -51.77 -24.32 5.78 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.5 -1.682 . . . . 0.0 113.11 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -71.65 -32.65 68.14 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.45 -0.9 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.68 -44.17 28.84 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.39 -34.39 77.63 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.054 -1.885 . . . . 0.0 107.171 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 78.3 t80 -54.57 -56.85 14.65 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 mt -60.95 -41.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -68.32 -31.71 71.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.198 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -85.91 -35.89 20.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 3.7 tpp180 -62.32 -66.46 0.54 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.185 -1.825 . . . . 0.0 106.497 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.881 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.5 2.045 0 CA-C-O 120.835 0.35 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.575 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -69.53 15.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.636 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.515 ' N ' HE21 ' A' ' 65' ' ' GLN . 38.9 mmt180 -134.0 -46.52 0.79 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.58 -50.87 75.85 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.484 -0.886 . . . . 0.0 112.619 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -69.14 -25.03 64.18 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 117.685 -1.606 . . . . 0.0 112.483 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.615 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -64.26 -16.55 62.31 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -75.71 -34.99 60.39 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.03 0.919 . . . . 0.0 112.056 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -69.79 -42.83 73.24 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.95 -38.64 79.58 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -50.51 -46.54 57.25 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 117.861 -1.536 . . . . 0.0 107.613 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -73.74 -46.95 45.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -67.99 -18.69 64.8 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.735 -0.786 . . . . 0.0 112.482 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -97.99 -47.47 5.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 73' ' ' ARG . 20.7 tpt180 -64.15 -40.24 95.73 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 116.902 -1.919 . . . . 0.0 109.03 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 179.339 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 62' ' ' ARG . 43.8 mm . . . . . 0 N--CA 1.504 2.259 0 CA-C-O 120.458 0.171 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.566 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -68.62 17.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -179.691 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.583 ' N ' HE21 ' A' ' 65' ' ' GLN . 39.7 mtt180 -143.63 -40.32 0.3 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -45.04 92.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.544 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.78 -33.31 40.66 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.304 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.656 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -51.51 -27.57 11.04 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.336 -1.756 . . . . 0.0 114.722 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.25 -30.74 66.69 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.857 0.837 . . . . 0.0 112.101 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -79.04 -43.28 24.58 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.44 -36.98 85.54 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.153 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.8 -50.28 61.1 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.751 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.83 -44.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.613 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -70.75 -15.28 62.67 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.592 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -97.78 -40.14 8.69 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.85 -64.13 0.93 Allowed 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.447 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt . . . . . 0 N--CA 1.492 1.655 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.357 -179.519 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.591 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -63.67 0.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.28 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -127.96 -35.38 2.07 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.58 -47.93 90.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 pp -90.44 -11.28 40.88 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 116.769 -1.972 . . . . 0.0 113.7 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 1.9 mp0 -58.92 -18.94 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.446 0.641 . . . . 0.0 111.978 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.65 -30.24 65.53 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.832 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -81.79 -44.8 16.48 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.247 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.501 ' HG ' ' HA ' ' A' ' 65' ' ' GLN . 3.4 pp -72.12 -24.42 61.47 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 115.253 -2.579 . . . . 0.0 108.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.493 ' N ' HD12 ' A' ' 68' ' ' LEU . 24.8 t80 -51.04 -51.21 55.47 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 mt -54.17 -54.99 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 113.556 -1.656 . . . . 0.0 113.203 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -54.41 -34.36 61.16 Favored 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 119.246 -0.982 . . . . 0.0 113.364 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.37 -34.08 28.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -42.48 89.08 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.753 -1.567 . . . . 0.0 107.075 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.38 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.501 2.103 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.31 17.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -179.496 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.489 ' N ' HE21 ' A' ' 65' ' ' GLN . 85.6 mtt180 -135.76 -47.6 0.68 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mt -56.13 -52.4 51.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.778 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.19 -30.72 70.59 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 117.79 -1.564 . . . . 0.0 111.384 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.622 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.2 mp0 -68.26 -20.32 64.79 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 113.326 -1.761 . . . . 0.0 114.049 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.38 -34.21 58.88 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.991 0.9 . . . . 0.0 110.663 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.97 -50.26 13.61 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.855 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' HA ' ' A' ' 65' ' ' GLN . 3.7 pp -65.56 -27.77 68.67 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 114.632 -2.827 . . . . 0.0 108.821 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' N ' HD12 ' A' ' 68' ' ' LEU . 51.4 t80 -55.57 -49.37 72.91 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 117.79 -1.564 . . . . 0.0 107.89 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.4 mt -66.87 -40.08 85.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.634 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -66.32 -29.24 69.4 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.943 -1.103 . . . . 0.0 112.711 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -41.74 11.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -58.42 -61.46 2.57 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.2 mt . . . . . 0 N--CA 1.496 1.836 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 179.552 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.424 ' C ' ' H ' ' A' ' 62' ' ' ARG . 2.7 tt . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.578 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -70.83 12.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.54 ' N ' HE21 ' A' ' 65' ' ' GLN . 34.3 mtp-105 -135.35 -41.81 0.71 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.83 -48.91 86.78 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.41 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.9 -31.49 72.75 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 117.94 -1.504 . . . . 0.0 111.871 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.691 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.6 mp0 -57.22 -21.6 34.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.354 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.19 -27.36 61.59 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.178 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -83.04 -41.14 19.01 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.4 -37.13 86.09 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 105.604 -1.998 . . . . 0.0 105.604 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.96 -41.73 62.33 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 113.81 -1.541 . . . . 0.0 107.011 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.66 -53.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -70.73 -11.54 61.01 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 117.759 -1.577 . . . . 0.0 114.425 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -105.1 -30.08 9.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.89 -47.34 9.75 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.053 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.499 2.0 0 C-N-CA 118.591 -1.244 . . . . 0.0 110.363 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.468 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.6 mm . . . . . 0 N--CA 1.503 2.189 0 CA-C-O 121.0 0.428 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.545 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -65.83 14.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.576 ' N ' HE21 ' A' ' 65' ' ' GLN . 51.0 ttt180 -137.83 -38.15 0.58 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.05 -48.68 87.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -32.88 74.47 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.201 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.635 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -56.52 -20.92 22.77 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 113.223 -1.808 . . . . 0.0 114.209 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.57 -31.4 65.21 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.093 0.949 . . . . 0.0 111.497 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -77.34 -46.18 23.72 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.51 -39.13 89.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 112.465 -2.152 . . . . 0.0 106.683 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.39 -48.64 62.53 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 113.768 -1.56 . . . . 0.0 107.922 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.47 -43.59 87.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-N 114.347 -1.297 . . . . 0.0 112.857 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -65.45 -31.26 72.25 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -94.39 -33.26 13.22 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.39 -49.28 67.37 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 117.145 -1.822 . . . . 0.0 106.086 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.489 1.49 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.576 179.71 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 122.161 0.982 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 tp -53.34 -32.88 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.327 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.34 13.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-O 122.106 0.955 . . . . 0.0 112.996 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.482 ' N ' HE21 ' A' ' 65' ' ' GLN . 10.7 mmm-85 -131.4 -47.05 0.98 Allowed 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -55.69 -56.11 13.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.317 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.2 -34.44 76.46 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.327 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.702 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -63.15 -19.16 64.21 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.486 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -68.9 -28.74 66.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -86.51 -49.37 7.62 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.73 -29.5 66.76 Favored 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 117.722 -1.591 . . . . 0.0 107.96 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -41.89 60.28 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.988 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 22.2 mm -65.49 -49.63 77.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-N 113.799 -1.546 . . . . 0.0 114.724 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -68.26 -20.05 64.77 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.913 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -83.88 -47.49 11.01 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.526 ' HE ' ' CZ ' ' A' ' 77' ' ' ARG . 78.4 ttt180 -58.55 -63.53 1.25 Allowed 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.991 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.4 mt -54.8 -25.02 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.76 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.36 -63.77 2.43 Favored Glycine 0 N--CA 1.486 2.007 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 62.7 m -55.47 -5.79 0.15 Allowed 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.526 ' CZ ' ' HE ' ' A' ' 73' ' ' ARG . 22.1 mtt-85 -84.8 -23.5 29.1 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 113.485 -1.689 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.09 -21.78 1.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.472 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 t -163.34 35.28 0.09 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.023 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 34.53 60.46 0.6 Allowed 'General case' 0 N--CA 1.507 2.402 0 CA-C-O 123.508 1.623 . . . . 0.0 111.995 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' VAL . 1.2 mp -58.3 -20.59 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 CA-C-N 113.327 -1.761 . . . . 0.0 112.708 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -35.15 -20.8 0.01 OUTLIER Glycine 0 N--CA 1.502 3.051 0 CA-C-N 113.435 -1.711 . . . . 0.0 116.664 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.529 ' O ' ' HB ' ' A' ' 84' ' ' THR . 27.2 t -61.56 -40.0 85.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.73 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 83' ' ' VAL . 7.4 t 141.07 -30.05 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.08 0 O-C-N 125.413 1.695 . . . . 0.0 110.717 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -59.73 86.69 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.456 -0.897 . . . . 0.0 113.243 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.504 2.231 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.453 179.758 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.205 0.526 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.7 mp -50.51 -49.56 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.589 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -64.68 13.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.457 ' CA ' HE21 ' A' ' 65' ' ' GLN . 20.8 mtp-105 -135.3 -37.63 0.77 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.59 -51.26 65.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 C-N-CA 118.691 -1.204 . . . . 0.0 110.181 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 64' ' ' LEU . 7.8 mp -57.55 -35.29 70.13 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.362 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.745 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.3 mp0 -61.59 -20.97 63.91 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 112.808 -1.996 . . . . 0.0 113.016 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -78.55 -29.85 46.57 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.145 -1.022 . . . . 0.0 111.855 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.47 -44.15 65.3 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.1 -37.35 81.08 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 53.5 t80 -51.43 -51.53 54.04 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.1 mt -60.83 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 C-N-CA 119.051 -1.06 . . . . 0.0 112.191 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -65.03 -24.88 67.61 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE1' ' SG ' ' A' ' 76' ' ' CYS . 32.6 t80 -94.36 -37.75 11.32 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -69.45 -38.91 78.0 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.5 mt -79.54 -43.45 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 118.495 -1.282 . . . . 0.0 108.175 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.94 -53.77 34.94 Favored Glycine 0 N--CA 1.494 2.545 0 C-N-CA 120.86 -0.686 . . . . 0.0 114.038 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' A' ' 72' ' ' PHE . 83.7 m -76.37 12.6 1.17 Allowed 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 116.023 1.861 . . . . 0.0 116.023 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -96.64 -40.5 8.98 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.52 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CG ' ' N ' ' A' ' 79' ' ' SER . 2.2 p80 -31.44 -39.79 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 O-C-N 124.8 1.312 . . . . 0.0 114.042 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 73.7 m -146.76 28.86 1.03 Allowed 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.719 0.771 . . . . 0.0 109.062 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 43.41 70.12 0.34 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 124.153 1.93 . . . . 0.0 113.772 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.5 mp -84.7 -7.8 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-N 111.899 -2.41 . . . . 0.0 110.428 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.81 46.63 0.02 OUTLIER Glycine 0 N--CA 1.496 2.677 0 C-N-CA 118.27 -1.919 . . . . 0.0 117.372 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.41 -20.3 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 CA-C-O 122.289 1.042 . . . . 0.0 111.077 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -113.17 19.12 17.41 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.924 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 85.69 1.69 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 105.982 -1.858 . . . . 0.0 105.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 . . . . . 0 N--CA 1.503 2.188 0 CA-C-N 112.687 -2.051 . . . . 0.0 109.747 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.507 0.67 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.464 ' C ' ' H ' ' A' ' 62' ' ' ARG . 45.8 mm -53.65 -40.93 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-O 121.496 0.665 . . . . 0.0 109.216 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.574 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.76 27.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.901 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.61 ' N ' HE21 ' A' ' 65' ' ' GLN . 2.9 tpt180 -144.42 -49.96 0.28 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.07 -50.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.272 -0.971 . . . . 0.0 111.829 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.3 mm? -71.66 -23.1 61.62 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 118.797 -1.161 . . . . 0.0 113.149 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.658 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.4 mp0 -58.81 -19.65 43.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.705 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.92 -30.48 68.96 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.245 -0.982 . . . . 0.0 109.683 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -44.2 20.45 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.9 mt -61.5 -34.06 74.86 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 112.974 -1.921 . . . . 0.0 107.311 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -56.78 -40.97 76.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 113.854 -1.521 . . . . 0.0 108.031 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.6 -44.88 76.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.695 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -67.57 -31.09 70.92 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.301 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.425 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 51.7 t80 -85.75 -39.92 16.63 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -67.6 -48.53 66.57 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 116.464 -2.095 . . . . 0.0 109.575 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.33 -41.09 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.456 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.74 -56.69 11.91 Favored Glycine 0 N--CA 1.494 2.525 0 C-N-CA 119.657 -1.259 . . . . 0.0 114.636 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.425 ' SG ' ' CZ ' ' A' ' 72' ' ' PHE . 85.0 m -59.55 9.47 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 119.288 3.07 . . . . 0.0 119.288 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -90.82 -29.5 17.54 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.515 ' CG ' ' N ' ' A' ' 79' ' ' SER . 4.9 p80 -55.0 -45.71 75.1 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 118.03 -1.468 . . . . 0.0 109.426 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.515 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 3.6 m -171.75 40.31 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.121 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.49 ' HB3' ' HB ' ' A' ' 83' ' ' VAL . 21.9 ttt180 44.66 51.93 7.97 Favored 'General case' 0 N--CA 1.509 2.476 0 CA-C-O 122.713 1.244 . . . . 0.0 109.938 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.414 ' HA ' ' NE2' ' A' ' 78' ' ' HIS . 37.2 mm 43.18 42.32 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 CA-C-O 125.115 2.388 . . . . 0.0 109.697 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.51 61.85 3.95 Favored Glycine 0 N--CA 1.494 2.502 0 CA-C-N 110.486 -3.052 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 7.6 p -20.94 -51.67 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 53.2 m -132.38 -46.78 0.9 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 113.304 -1.771 . . . . 0.0 109.71 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -73.14 79.44 1.26 Allowed 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.828 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 116.582 -1.675 . . . . 0.0 110.767 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.256 0.551 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.2 mm -43.16 -47.51 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.491 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.532 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -64.36 6.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.426 ' N ' HE21 ' A' ' 65' ' ' GLN . 25.8 ttm-85 -132.95 -45.24 0.86 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mm -56.59 -46.64 82.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.25 -31.0 63.85 Favored 'General case' 0 N--CA 1.505 2.32 0 CA-C-O 123.276 1.512 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.677 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -59.45 -17.5 31.7 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.817 -1.992 . . . . 0.0 112.068 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.07 -27.86 69.68 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.5 mp -88.2 -42.94 11.98 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.587 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.58 -24.12 67.0 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.293 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -48.49 48.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 125.321 1.638 . . . . 0.0 106.779 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 ' H ' ' A' ' 70' ' ' ILE . 3.6 mp -54.41 -56.89 7.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 114.315 -1.311 . . . . 0.0 113.585 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -54.59 -40.5 68.9 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -81.85 -22.63 36.86 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.867 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -72.26 -48.6 41.38 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 117.995 -1.482 . . . . 0.0 109.375 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.88 -48.39 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-N 112.909 -1.951 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -50.85 -47.79 46.45 Favored Glycine 0 N--CA 1.5 2.905 0 CA-C-O 122.918 1.288 . . . . 0.0 111.491 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 91.7 m -68.23 7.54 0.57 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -88.89 -39.1 14.04 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.466 ' NE2' HD11 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -41.61 -29.44 0.18 Allowed 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -179.503 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 t -148.11 31.59 0.84 Allowed 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.6 ttt-85 33.94 59.08 0.58 Allowed 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 123.746 1.736 . . . . 0.0 109.188 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.466 HD11 ' NE2' ' A' ' 78' ' ' HIS . 41.4 mm -52.53 -17.08 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-N 113.62 -1.627 . . . . 0.0 110.293 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -48.02 -24.29 3.17 Favored Glycine 0 N--CA 1.492 2.402 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.203 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.19 -22.01 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.406 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 81' ' ' ILE . 12.4 t -93.19 0.65 57.2 Favored 'General case' 0 N--CA 1.508 2.452 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.866 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 12.51 74.71 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.23 0 O-C-N 126.034 2.084 . . . . 0.0 113.886 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 . . . . . 0 N--CA 1.5 2.042 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.003 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.953 0.883 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 tt -51.56 -36.07 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.19 7.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' N ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -130.24 -47.05 1.1 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 179.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -56.31 -52.28 53.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 C-N-CA 118.786 -1.166 . . . . 0.0 112.152 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.35 -30.41 71.55 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.595 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.703 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -61.75 -21.45 64.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.127 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.55 -26.52 63.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.2 mt -86.09 -47.99 9.03 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.2 mt -56.89 -34.97 68.43 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.254 -1.378 . . . . 0.0 107.713 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -50.83 -41.55 57.71 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.803 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.3 -46.68 70.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 113.932 -1.485 . . . . 0.0 112.763 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.64 -26.35 65.28 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.05 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -38.46 12.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 77' ' ' ARG . 59.4 ttt85 -66.99 -55.39 14.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 116.863 -1.935 . . . . 0.0 107.69 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.37 -24.2 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 C-N-CA 119.191 -1.004 . . . . 0.0 110.065 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.11 -62.5 2.32 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 119.716 -1.23 . . . . 0.0 112.407 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.2 m -63.52 -5.23 3.54 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 73' ' ' ARG . 16.6 ttt-85 -82.42 -20.76 36.39 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 113.356 -1.747 . . . . 0.0 109.81 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -45.31 -30.22 1.22 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 124.235 0.959 . . . . 0.0 110.143 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.3 t -164.02 28.32 0.08 Allowed 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.087 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 46.23 59.29 3.88 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 123.487 1.613 . . . . 0.0 114.138 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 mp -78.08 0.38 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.639 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.41 -27.38 47.45 Favored Glycine 0 N--CA 1.505 3.261 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.76 -19.86 22.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-N 114.189 -1.005 . . . . 0.0 110.645 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -141.56 -4.25 1.12 Allowed 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 28.48 50.35 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 116.168 -1.873 . . . . 0.0 111.029 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.338 0.589 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 tp -45.62 -48.6 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 CA-C-O 121.727 0.775 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.52 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -67.41 14.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.552 ' N ' HE21 ' A' ' 65' ' ' GLN . 20.4 tpp85 -135.98 -44.62 0.65 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -58.98 -53.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 C-N-CA 118.537 -1.265 . . . . 0.0 111.45 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.8 mm? -60.1 -31.61 70.2 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 117.531 -1.668 . . . . 0.0 111.804 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.721 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.6 mp0 -58.16 -23.12 54.18 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.661 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.39 -27.75 60.79 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.852 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.97 -45.73 11.21 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 63.7 mt -61.56 -37.77 85.02 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -40.4 -43.12 1.72 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 124.779 1.299 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.07 -55.8 17.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 C-N-CA 118.148 -1.421 . . . . 0.0 112.513 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -75.55 -7.71 54.89 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.328 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 m-30 -102.88 -24.07 13.71 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.2 tmm_? -89.32 -54.94 3.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 117.187 -1.805 . . . . 0.0 108.493 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.9 mt -45.68 -41.56 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.19 -39.04 94.01 Favored Glycine 0 N--CA 1.503 3.151 0 C-N-CA 120.361 -0.923 . . . . 0.0 113.472 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.32 6.33 12.33 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -81.61 -25.8 35.4 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.878 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.474 ' CD2' ' H ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -49.63 -38.44 32.13 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.659 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.474 ' H ' ' CD2' ' A' ' 78' ' ' HIS . 4.2 m -159.13 29.11 0.21 Allowed 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? 49.82 12.78 0.08 Allowed 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 117.768 2.506 . . . . 0.0 117.768 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.9 mp -54.33 -25.1 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 C-N-CA 119.895 -0.722 . . . . 0.0 112.463 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.56 43.65 78.29 Favored Glycine 0 N--CA 1.499 2.847 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.788 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.456 HG13 HG23 ' A' ' 84' ' ' THR . 7.5 p -60.92 -34.93 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 114.032 -1.084 . . . . 0.0 111.907 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.456 HG23 HG13 ' A' ' 83' ' ' VAL . 41.0 p -94.19 -50.84 5.09 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.572 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 49.29 38.78 14.43 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.001 -1.909 . . . . 0.0 113.167 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 . . . . . 0 N--CA 1.505 2.321 0 CA-C-O 116.089 -1.91 . . . . 0.0 112.015 179.79 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.922 0.868 . . . . 0.0 108.804 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.446 ' C ' ' H ' ' A' ' 62' ' ' ARG . 47.4 mm -46.67 -45.35 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.763 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.523 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.55 26.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.716 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.62 ' N ' HE21 ' A' ' 65' ' ' GLN . 3.3 tpt180 -143.65 -51.15 0.33 Allowed 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -55.12 -53.45 34.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 C-N-CA 119.649 -0.82 . . . . 0.0 111.872 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.2 mm? -68.45 -28.17 66.81 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 117.272 -1.771 . . . . 0.0 111.878 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.679 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.5 mp0 -59.84 -25.76 65.27 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.193 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -67.26 -27.73 67.45 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.525 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.04 -44.61 11.44 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 33.5 mt -58.75 -29.25 66.61 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.182 -1.407 . . . . 0.0 108.355 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -46.18 -46.87 17.7 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 125.179 1.549 . . . . 0.0 108.371 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.517 HD12 ' H ' ' A' ' 70' ' ' ILE . 4.2 mp -68.74 -51.98 40.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.47 -25.48 67.51 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.457 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 57.0 t80 -92.96 -38.21 11.8 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -71.51 -37.13 71.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 115.641 -2.424 . . . . 0.0 108.646 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.4 mt -80.06 -47.41 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.69 -51.54 48.01 Favored Glycine 0 N--CA 1.496 2.668 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.084 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.457 ' SG ' ' CZ ' ' A' ' 72' ' ' PHE . 71.7 m -69.69 3.13 2.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -31.68 57.16 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.533 ' CG ' ' N ' ' A' ' 79' ' ' SER . 2.8 p80 -45.26 -40.88 7.96 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.098 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.533 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 9.1 t 169.89 54.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.163 0 O-C-N 125.649 1.843 . . . . 0.0 109.471 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.1 ttm105 34.1 36.94 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.596 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.496 HD13 ' NE2' ' A' ' 78' ' ' HIS . 13.1 mm 40.71 48.27 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 CA-C-O 124.147 1.927 . . . . 0.0 110.336 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.05 26.45 3.11 Favored Glycine 0 N--CA 1.497 2.709 0 CA-C-N 112.446 -2.161 . . . . 0.0 113.09 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 84' ' ' THR . 12.4 p -50.97 -32.04 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER 152.77 -63.66 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.875 0 C-N-CA 126.536 1.935 . . . . 0.0 106.1 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.9 mtm-85 -70.1 71.71 0.41 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 113.809 -1.541 . . . . 0.0 111.266 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 . . . . . 0 N--CA 1.497 1.884 0 CA-C-O 116.02 -1.943 . . . . 0.0 109.207 179.736 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 60' ' ' ILE . 1.9 mp -46.34 -51.77 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 CA-C-O 122.396 1.093 . . . . 0.0 109.759 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.565 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -66.65 15.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.508 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.4 tpm_? -133.37 -40.61 0.89 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.44 -55.18 21.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.141 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.64 -30.22 68.57 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 122.647 1.213 . . . . 0.0 110.933 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.698 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -61.56 -18.0 57.39 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 113.277 -1.783 . . . . 0.0 112.285 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -70.0 -29.06 66.04 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.76 -49.53 8.38 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 15.1 mt -58.76 -30.33 67.45 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 117.16 -1.816 . . . . 0.0 108.855 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -47.33 -48.41 25.41 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 124.762 1.289 . . . . 0.0 108.524 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.49 -50.48 80.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 112.916 -1.947 . . . . 0.0 113.081 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -64.34 -26.94 68.7 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 114.463 -1.244 . . . . 0.0 113.482 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 68' ' ' LEU . 12.0 m-30 -83.83 -37.37 22.6 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -68.19 -46.61 70.17 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 116.992 -1.883 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.6 mt -70.71 -40.93 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.973 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -48.58 -50.02 25.8 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 99.3 m -60.49 0.94 0.15 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -85.34 -25.41 27.15 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.459 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -43.31 -30.6 0.53 Allowed 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 122.477 1.132 . . . . 0.0 112.146 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.8 m -147.74 27.2 0.99 Allowed 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.156 -1.383 . . . . 0.0 107.88 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 33.29 58.48 0.49 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 112.264 -2.244 . . . . 0.0 114.881 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.5 mp -54.42 -1.74 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.521 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.6 75.51 0.38 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 106.971 -2.452 . . . . 0.0 106.971 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 t -34.95 -29.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.13 -51.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.779 0.799 . . . . 0.0 109.948 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -88.69 162.24 16.39 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.111 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 116.189 -1.862 . . . . 0.0 110.08 179.865 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.404 0.621 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 62' ' ' ARG . 9.0 tp -54.37 -33.69 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.606 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -75.04 17.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.46 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.589 ' N ' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER -139.8 -41.06 0.44 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.346 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.72 -46.33 96.15 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.785 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.54 -33.42 71.13 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 122.687 1.232 . . . . 0.0 111.84 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.695 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -53.61 -22.88 9.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.013 -1.903 . . . . 0.0 113.861 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -71.8 -29.84 64.88 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.983 0.897 . . . . 0.0 110.776 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -80.05 -45.01 19.06 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.49 -37.64 81.75 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 112.515 -2.129 . . . . 0.0 107.182 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -52.45 -48.29 65.92 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 113.018 -1.901 . . . . 0.0 107.179 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 mt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.395 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -68.83 -29.53 67.88 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.559 -1.256 . . . . 0.0 113.437 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.416 ' CD1' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -89.42 -37.78 14.56 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -65.69 -45.72 81.72 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 118.661 -1.215 . . . . 0.0 108.269 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.7 mt -75.27 -46.41 38.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.18 -55.77 20.13 Favored Glycine 0 N--CA 1.501 2.98 0 C-N-CA 120.087 -1.054 . . . . 0.0 113.185 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.416 ' SG ' ' CD1' ' A' ' 72' ' ' PHE . 93.5 m -62.41 1.03 0.38 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -80.67 -23.21 39.78 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.526 ' CG ' ' N ' ' A' ' 79' ' ' SER . 2.5 p80 -54.26 -43.91 71.37 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 0.5 OUTLIER 175.7 53.31 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.132 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 34.55 40.53 0.04 OUTLIER 'General case' 0 N--CA 1.51 2.565 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 81' ' ' ILE . 19.7 mm 38.42 41.47 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 CA-C-O 124.461 2.077 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -100.25 -21.46 13.3 Favored Glycine 0 N--CA 1.494 2.513 0 CA-C-N 112.093 -2.321 . . . . 0.0 114.155 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.8 t -51.62 -18.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-O 121.557 0.694 . . . . 0.0 112.371 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.1 p -67.57 -35.48 79.09 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.561 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -82.54 58.32 4.12 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.823 1.297 . . . . 0.0 108.331 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 116.354 -1.784 . . . . 0.0 109.62 -179.821 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 120.929 0.395 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 62' ' ' ARG . 1.7 mp -50.52 -48.55 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 CA-C-O 121.563 0.697 . . . . 0.0 109.239 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.92 24.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-N 114.447 -1.251 . . . . 0.0 114.134 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.602 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.3 mtp180 -142.84 -37.66 0.37 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -70.31 -51.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.217 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.9 -31.37 68.55 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 118.134 -1.427 . . . . 0.0 110.515 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.691 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.7 mp0 -57.83 -20.23 34.58 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.928 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -68.63 -31.71 71.05 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.653 -0.819 . . . . 0.0 108.847 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.88 -45.65 16.47 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.71 -33.52 71.72 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.512 -1.676 . . . . 0.0 107.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.18 -41.87 72.48 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.24 -48.12 75.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -62.78 -29.03 70.39 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 113.746 -1.57 . . . . 0.0 112.942 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -90.33 -38.37 13.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttt85 -61.51 -44.34 97.25 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 117.894 -1.522 . . . . 0.0 108.718 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt -79.04 -43.28 24.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.445 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.88 -62.16 6.0 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.051 -1.071 . . . . 0.0 113.473 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 80' ' ' ARG . 61.4 m -54.76 -3.71 0.05 Allowed 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 116.744 2.128 . . . . 0.0 116.744 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -26.63 61.22 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 79' ' ' SER . 7.9 p80 -53.04 -37.54 61.66 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.331 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 41.3 t 171.56 48.24 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.529 0 O-C-N 124.413 1.07 . . . . 0.0 109.107 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' H ' ' A' ' 82' ' ' GLY . 27.1 ttm180 41.41 33.43 0.28 Allowed 'General case' 0 N--CA 1.505 2.31 0 CA-C-O 121.84 0.829 . . . . 0.0 112.286 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.44 ' O ' HG22 ' A' ' 81' ' ' ILE . 28.5 mm 53.76 7.57 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 CA-C-O 122.231 1.015 . . . . 0.0 112.724 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 80' ' ' ARG . . . -42.0 -37.35 2.17 Favored Glycine 0 N--CA 1.5 2.949 0 CA-C-N 115.341 -0.845 . . . . 0.0 113.871 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.7 t -51.44 -32.71 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-N 114.364 -0.918 . . . . 0.0 109.592 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.1 p -146.12 84.72 1.65 Allowed 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.018 -1.446 . . . . 0.0 108.383 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -71.46 82.31 0.8 Allowed 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.099 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 N--CA 1.49 1.563 0 CA-C-N 113.812 -1.54 . . . . 0.0 106.976 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.309 0.576 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 tt -46.82 -43.69 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.142 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.5 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.1 pp -67.38 6.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.414 ' N ' HE21 ' A' ' 65' ' ' GLN . 41.0 mtt-85 -129.68 -41.85 1.32 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mt -60.17 -54.24 37.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 C-N-CA 119.091 -1.044 . . . . 0.0 111.967 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.24 -30.74 71.79 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 117.834 -1.546 . . . . 0.0 109.024 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.67 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -64.12 -17.42 63.44 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.409 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -69.23 -26.46 64.81 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.6 mp -88.63 -48.0 7.87 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.35 -29.24 68.78 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 117.206 -1.798 . . . . 0.0 108.143 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -49.77 -44.55 48.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.656 1.223 . . . . 0.0 107.981 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.8 mt -65.16 -47.3 88.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.53 -29.21 66.76 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 119.736 -0.786 . . . . 0.0 112.625 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -82.82 -35.91 25.99 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -60.93 2.38 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.7 mt -54.94 -49.5 70.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -51.07 -55.17 19.9 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.912 -1.137 . . . . 0.0 111.231 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 87.3 m -62.91 -1.5 0.92 Allowed 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 41.4 ttt85 -83.45 -22.15 32.69 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 79' ' ' SER . 5.7 p80 -44.27 -35.3 2.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.071 0.857 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 46.8 t -165.09 27.32 0.06 Allowed 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.91 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 34.59 42.38 0.07 Allowed 'General case' 0 N--CA 1.505 2.275 0 CA-C-O 122.99 1.376 . . . . 0.0 112.033 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.437 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.4 mp 44.55 18.13 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 CA-C-O 123.934 1.826 . . . . 0.0 114.869 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 85' ' ' ARG . . . -67.85 31.36 0.23 Allowed Glycine 0 N--CA 1.495 2.622 0 CA-C-N 114.102 -1.408 . . . . 0.0 115.531 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.6 t -70.23 -25.12 26.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.4 p -138.94 -65.25 0.49 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.021 0.915 . . . . 0.0 108.663 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' O ' ' HA2' ' A' ' 82' ' ' GLY . 3.3 ttt-85 -67.19 152.13 46.3 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 116.417 -1.754 . . . . 0.0 110.424 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.6 tp -50.92 -32.19 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.595 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -67.33 -9.2 9.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 C-N-CA 119.285 -0.966 . . . . 0.0 113.164 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 25.6 mtp85 -116.93 -43.82 2.85 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -50.82 -48.53 28.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.377 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.4 mt -76.89 -33.48 57.81 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 117.143 -1.823 . . . . 0.0 109.953 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.682 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.1 mp0 -62.28 -16.87 56.54 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 112.863 -1.971 . . . . 0.0 114.168 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 24.4 mt-30 -69.6 -26.21 64.34 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -85.97 -51.91 6.05 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.945 -2.242 . . . . 0.0 104.945 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.3 -32.0 55.36 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.366 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -50.07 -44.43 51.72 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 113.9 -1.5 . . . . 0.0 108.269 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 mt -64.13 -41.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 114.279 -1.328 . . . . 0.0 112.782 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -68.36 -33.73 74.81 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.636 -0.825 . . . . 0.0 112.386 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.51 -35.18 25.04 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -67.09 -50.69 60.76 Favored 'General case' 0 C--N 1.309 -1.194 0 C-N-CA 118.075 -1.45 . . . . 0.0 109.671 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mt -68.96 -49.46 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' ND1' ' A' ' 78' ' ' HIS . . . -46.85 -56.42 7.56 Favored Glycine 0 N--CA 1.489 2.18 0 C-N-CA 120.151 -1.023 . . . . 0.0 111.89 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.5 ' HA ' ' CE1' ' A' ' 78' ' ' HIS . 71.6 m -64.46 2.12 0.68 Allowed 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -81.3 -14.66 57.12 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 76' ' ' CYS . 8.0 p-80 -47.21 -36.53 8.93 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.697 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.434 ' N ' ' CD2' ' A' ' 78' ' ' HIS . 0.4 OUTLIER 170.01 29.32 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.543 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 24.19 51.51 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 124.023 1.868 . . . . 0.0 113.54 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 48.8 mm -60.83 -12.62 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-N 112.256 -2.247 . . . . 0.0 111.013 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 84' ' ' THR . . . 80.56 -50.62 4.09 Favored Glycine 0 N--CA 1.495 2.602 0 CA-C-N 114.484 -1.234 . . . . 0.0 112.111 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.6 t -35.76 -20.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 82' ' ' GLY . 28.0 m 68.33 -45.81 0.52 Allowed 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -99.67 20.22 14.43 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 122.548 1.166 . . . . 0.0 111.89 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 . . . . . 0 N--CA 1.504 2.236 0 CA-C-O 116.856 -1.545 . . . . 0.0 107.335 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.821 0.82 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.405 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.2 mm -47.36 -40.55 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.473 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 1.0 OUTLIER -66.84 9.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.562 ' N ' HE21 ' A' ' 65' ' ' GLN . 7.9 tpp85 -136.68 -39.85 0.63 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.2 -49.8 82.72 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 C-N-CA 119.57 -0.852 . . . . 0.0 111.706 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.78 -33.31 75.56 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 122.89 1.329 . . . . 0.0 112.176 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.634 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -54.44 -20.48 7.61 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.177 -1.829 . . . . 0.0 113.817 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.29 -32.97 67.08 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 122.206 1.003 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -74.11 -45.82 46.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.68 -38.27 89.71 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 112.343 -2.208 . . . . 0.0 106.202 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.3 -53.11 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.98 -38.97 82.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 C-N-CA 118.911 -1.116 . . . . 0.0 113.061 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -68.19 -30.56 69.68 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.002 -1.079 . . . . 0.0 113.352 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.61 -37.77 14.42 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -66.59 -43.32 85.2 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.033 -1.44 . . . . 0.0 108.264 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.3 mt -73.77 -28.04 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 C-N-CA 118.519 -1.272 . . . . 0.0 107.828 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 77' ' ' ARG . . . -68.39 -62.66 4.0 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.403 ' HB3' ' HB ' ' A' ' 81' ' ' ILE . 87.6 m -54.66 7.85 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 117.655 2.465 . . . . 0.0 117.655 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -86.88 -35.34 19.04 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.521 ' CG ' ' N ' ' A' ' 79' ' ' SER . 6.0 p80 -34.3 -45.76 0.23 Allowed 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 114.662 -1.154 . . . . 0.0 113.103 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.521 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 73.0 m -129.84 23.0 5.37 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 114.127 -1.397 . . . . 0.0 109.421 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 35.7 67.42 0.28 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 127.689 2.396 . . . . 0.0 114.778 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.444 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.7 mp -68.06 2.31 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.358 0 CA-C-N 112.037 -2.347 . . . . 0.0 112.161 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -101.65 -100.86 2.49 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -41.0 -69.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 CA-C-N 115.188 -0.506 . . . . 0.0 112.265 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.8 m 73.68 -59.9 0.55 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 124.322 1.014 . . . . 0.0 108.569 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -154.31 160.49 41.77 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 116.166 -1.874 . . . . 0.0 107.285 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.982 0.42 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.3 tp -52.63 -34.87 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 C-N-CA 119.193 -1.003 . . . . 0.0 110.325 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.586 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -71.62 10.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.539 ' N ' HE21 ' A' ' 65' ' ' GLN . 1.1 mtt85 -136.99 -35.51 0.7 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.45 -46.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.341 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.7 mt -68.98 -33.21 73.31 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.833 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.683 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -51.77 -24.32 5.78 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.5 -1.682 . . . . 0.0 113.11 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -71.65 -32.65 68.14 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.45 -0.9 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.68 -44.17 28.84 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.39 -34.39 77.63 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.054 -1.885 . . . . 0.0 107.171 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 73' ' ' ARG . 78.3 t80 -54.57 -56.85 14.65 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 mt -60.95 -41.84 90.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -68.32 -31.71 71.33 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.135 -1.026 . . . . 0.0 112.198 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -85.91 -35.89 20.23 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 3.7 tpp180 -62.32 -66.46 0.54 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.185 -1.825 . . . . 0.0 106.497 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.46 -45.48 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -47.66 -54.0 12.02 Favored Glycine 0 N--CA 1.496 2.679 0 C-N-CA 120.004 -1.093 . . . . 0.0 112.066 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 76.9 m -71.86 -3.77 24.25 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 77' ' ' ARG . 3.4 mmp_? -87.73 -19.77 27.12 Favored 'General case' 0 C--N 1.289 -2.029 0 C-N-CA 118.97 -1.092 . . . . 0.0 111.659 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.413 ' NE2' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -69.01 -38.86 79.47 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 118.075 -1.45 . . . . 0.0 108.708 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -171.42 35.21 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.834 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 44.05 62.66 1.88 Allowed 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 124.722 2.201 . . . . 0.0 115.547 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.413 HD11 ' NE2' ' A' ' 78' ' ' HIS . 27.0 mm -55.9 -11.72 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 CA-C-N 112.718 -2.037 . . . . 0.0 111.032 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -50.46 -32.66 23.56 Favored Glycine 0 N--CA 1.505 3.278 0 N-CA-C 107.406 -2.277 . . . . 0.0 107.406 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.76 16.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 113.414 -1.393 . . . . 0.0 111.204 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.6 m -55.77 -25.76 42.55 Favored 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.5 ttt-85 20.89 83.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 125.247 1.592 . . . . 0.0 114.762 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 N--CA 1.499 1.978 0 CA-C-O 116.892 -1.528 . . . . 0.0 112.193 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.9 mp -48.43 -46.59 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.638 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.575 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -69.53 15.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -179.636 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.515 ' N ' HE21 ' A' ' 65' ' ' GLN . 38.9 mmt180 -134.0 -46.52 0.79 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mt -57.58 -50.87 75.85 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.484 -0.886 . . . . 0.0 112.619 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 64' ' ' LEU . 3.2 mm? -69.14 -25.03 64.18 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 117.685 -1.606 . . . . 0.0 112.483 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.615 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.9 mp0 -64.26 -16.55 62.31 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.155 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -75.71 -34.99 60.39 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 122.03 0.919 . . . . 0.0 112.056 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 mt -69.79 -42.83 73.24 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.95 -38.64 79.58 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -50.51 -46.54 57.25 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 117.861 -1.536 . . . . 0.0 107.613 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.6 mt -73.74 -46.95 45.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -67.99 -18.69 64.8 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.735 -0.786 . . . . 0.0 112.482 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -97.99 -47.47 5.51 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 73' ' ' ARG . 20.7 tpt180 -64.15 -40.24 95.73 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 116.902 -1.919 . . . . 0.0 109.03 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mt -71.34 -39.26 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.98 -45.37 61.93 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 79.4 m -60.15 -5.74 1.18 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -87.57 -12.26 46.27 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.182 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CG ' ' N ' ' A' ' 79' ' ' SER . 8.3 p80 -52.69 -35.01 54.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 124.103 0.877 . . . . 0.0 108.903 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 39.0 t 170.83 29.63 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 113.342 -1.753 . . . . 0.0 109.681 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 82' ' ' GLY . 25.9 ttt180 36.87 43.74 0.31 Allowed 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 123.071 1.415 . . . . 0.0 111.588 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.7 mm 58.91 -10.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-N 113.123 -1.853 . . . . 0.0 115.956 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 80' ' ' ARG . . . -42.68 -23.04 0.16 Allowed Glycine 0 N--CA 1.501 2.993 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.816 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 t -52.27 -22.91 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 CA-C-O 121.048 0.451 . . . . 0.0 110.489 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.7 m 64.0 31.23 13.79 Favored 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 123.03 1.395 . . . . 0.0 113.166 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -67.2 102.17 1.01 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.492 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.497 1.885 0 CA-C-O 117.102 -1.428 . . . . 0.0 111.029 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.742 0.782 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 62' ' ' ARG . 43.8 mm -43.51 -45.14 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.176 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.566 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -68.62 17.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -179.691 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.583 ' N ' HE21 ' A' ' 65' ' ' GLN . 39.7 mtt180 -143.63 -40.32 0.3 Allowed 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -45.04 92.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.544 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 mt -79.78 -33.31 40.66 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.178 -1.409 . . . . 0.0 112.304 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.656 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -51.51 -27.57 11.04 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.336 -1.756 . . . . 0.0 114.722 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.25 -30.74 66.69 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.857 0.837 . . . . 0.0 112.101 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -79.04 -43.28 24.58 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.44 -36.98 85.54 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 112.921 -1.945 . . . . 0.0 107.153 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -51.8 -50.28 61.1 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.751 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.83 -44.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.613 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -70.75 -15.28 62.67 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.592 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -97.78 -40.14 8.69 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -65.85 -64.13 0.93 Allowed 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.447 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -50.48 -32.88 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.357 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.44 -19.8 67.03 Favored Glycine 0 N--CA 1.506 3.342 0 C-N-CA 117.307 -2.377 . . . . 0.0 113.874 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 98.1 m -101.77 1.77 37.66 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -53.58 17.85 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.622 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -35.64 -33.45 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.2 m -145.8 26.18 1.27 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.459 0.647 . . . . 0.0 110.938 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 35.89 54.44 0.93 Allowed 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.806 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mp -48.83 -20.15 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.746 0 CA-C-O 122.197 0.999 . . . . 0.0 113.632 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.15 -33.98 38.93 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.27 -24.52 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-N 114.604 -0.798 . . . . 0.0 111.959 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.7 m -68.13 -22.27 64.88 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.892 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -76.74 86.16 3.36 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 118.157 -1.417 . . . . 0.0 107.994 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.499 2.023 0 CA-C-O 117.649 -1.167 . . . . 0.0 113.713 179.767 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.3 mm -44.09 -46.72 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.591 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -63.67 0.07 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.28 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -127.96 -35.38 2.07 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.58 -47.93 90.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 pp -90.44 -11.28 40.88 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 116.769 -1.972 . . . . 0.0 113.7 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 1.9 mp0 -58.92 -18.94 38.06 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.446 0.641 . . . . 0.0 111.978 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -71.65 -30.24 65.53 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.832 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.8 mp -81.79 -44.8 16.48 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.247 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.501 ' HG ' ' HA ' ' A' ' 65' ' ' GLN . 3.4 pp -72.12 -24.42 61.47 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 115.253 -2.579 . . . . 0.0 108.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.493 ' N ' HD12 ' A' ' 68' ' ' LEU . 24.8 t80 -51.04 -51.21 55.47 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 mt -54.17 -54.99 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 113.556 -1.656 . . . . 0.0 113.203 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -54.41 -34.36 61.16 Favored 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 119.246 -0.982 . . . . 0.0 113.364 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.37 -34.08 28.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -42.48 89.08 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.753 -1.567 . . . . 0.0 107.075 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.2 mt -71.77 -47.83 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.99 -36.45 51.44 Favored Glycine 0 N--CA 1.497 2.719 0 C-N-CA 120.161 -1.019 . . . . 0.0 111.066 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' ARG . 71.4 m -60.19 -15.19 22.08 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 122.748 1.261 . . . . 0.0 114.294 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -67.78 -20.11 65.17 Favored 'General case' 0 C--N 1.287 -2.146 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.461 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 4.6 p80 -53.67 -30.5 43.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 123.734 0.647 . . . . 0.0 110.142 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 38.6 t -172.73 30.26 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.691 0 O-C-N 124.232 0.957 . . . . 0.0 112.078 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' CYS . 52.6 ttp180 27.66 51.76 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.402 0 CA-C-O 123.443 1.592 . . . . 0.0 110.646 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.0 mm 33.9 58.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 111.019 -2.809 . . . . 0.0 111.041 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.3 -22.54 44.52 Favored Glycine 0 N--CA 1.505 3.263 0 CA-C-N 112.546 -2.115 . . . . 0.0 111.043 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.8 t -66.34 -17.56 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.4 m 99.79 122.87 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 127.298 2.239 . . . . 0.0 105.378 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -75.47 173.45 10.95 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 116.376 -1.774 . . . . 0.0 108.902 179.828 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.735 0.779 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 60' ' ' ILE . 1.7 mp -51.6 -42.78 30.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.705 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.31 17.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -179.496 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.489 ' N ' HE21 ' A' ' 65' ' ' GLN . 85.6 mtt180 -135.76 -47.6 0.68 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mt -56.13 -52.4 51.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 C-N-CA 118.731 -1.188 . . . . 0.0 111.778 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.19 -30.72 70.59 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 117.79 -1.564 . . . . 0.0 111.384 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.622 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 3.2 mp0 -68.26 -20.32 64.79 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 113.326 -1.761 . . . . 0.0 114.049 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.38 -34.21 58.88 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.991 0.9 . . . . 0.0 110.663 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.97 -50.26 13.61 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 113.918 -1.492 . . . . 0.0 107.855 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' HA ' ' A' ' 65' ' ' GLN . 3.7 pp -65.56 -27.77 68.67 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 114.632 -2.827 . . . . 0.0 108.821 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' N ' HD12 ' A' ' 68' ' ' LEU . 51.4 t80 -55.57 -49.37 72.91 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 117.79 -1.564 . . . . 0.0 107.89 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.4 mt -66.87 -40.08 85.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.634 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -66.32 -29.24 69.4 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.943 -1.103 . . . . 0.0 112.711 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -41.74 11.18 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -58.42 -61.46 2.57 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.2 mt -57.1 -42.08 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -45.83 -35.35 6.0 Favored Glycine 0 N--CA 1.489 2.22 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.106 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 74.2 m -107.23 0.23 23.11 Favored 'General case' 0 N--CA 1.508 2.454 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -83.71 -13.54 53.8 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 113.313 -1.767 . . . . 0.0 108.041 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 79' ' ' SER . 6.7 p-80 -42.51 -31.62 0.46 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.56 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.486 ' N ' ' CD2' ' A' ' 78' ' ' HIS . 45.8 t 159.82 32.96 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.666 0 O-C-N 126.03 2.081 . . . . 0.0 109.512 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 30.93 36.94 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.365 0 CA-C-O 122.414 1.102 . . . . 0.0 113.794 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.486 HG12 ' CD2' ' A' ' 78' ' ' HIS . 46.8 mm -53.57 -27.08 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 CA-C-O 124.004 1.859 . . . . 0.0 108.772 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.3 -14.39 2.19 Favored Glycine 0 N--CA 1.489 2.224 0 CA-C-N 111.389 -2.641 . . . . 0.0 111.347 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.2 p -50.67 -34.84 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-O 121.799 0.809 . . . . 0.0 111.397 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 t -64.74 -17.38 64.09 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 118.751 -1.18 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 28.16 42.28 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 O-C-N 126.337 2.273 . . . . 0.0 112.96 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 114.359 -2.734 . . . . 0.0 107.344 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.424 ' C ' ' H ' ' A' ' 62' ' ' ARG . 2.7 tt -50.64 -38.13 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 C-N-CA 119.181 -1.007 . . . . 0.0 111.747 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.578 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -70.83 12.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.54 ' N ' HE21 ' A' ' 65' ' ' GLN . 34.3 mtp-105 -135.35 -41.81 0.71 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.83 -48.91 86.78 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 C-N-CA 118.85 -1.14 . . . . 0.0 111.41 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.9 -31.49 72.75 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 117.94 -1.504 . . . . 0.0 111.871 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.691 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.6 mp0 -57.22 -21.6 34.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.354 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.19 -27.36 61.59 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.178 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 mp -83.04 -41.14 19.01 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.4 -37.13 86.09 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 105.604 -1.998 . . . . 0.0 105.604 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -51.96 -41.73 62.33 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 113.81 -1.541 . . . . 0.0 107.011 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.66 -53.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.156 -1.018 . . . . 0.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -70.73 -11.54 61.01 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 117.759 -1.577 . . . . 0.0 114.425 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -105.1 -30.08 9.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -85.89 -47.34 9.75 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.502 -1.279 . . . . 0.0 109.053 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mt -52.33 -38.6 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 C-N-CA 118.591 -1.244 . . . . 0.0 110.363 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.25 -18.32 62.72 Favored Glycine 0 N--CA 1.502 3.067 0 C-N-CA 118.846 -1.645 . . . . 0.0 114.15 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.4 m -109.81 -6.31 15.29 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -71.29 -30.48 66.3 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 113.587 -1.642 . . . . 0.0 111.368 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' NE2' HD13 ' A' ' 81' ' ' ILE . 1.1 p80 -52.49 -32.41 39.91 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.526 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -157.25 27.22 0.3 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 49.06 48.31 20.94 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.039 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.414 HD13 ' NE2' ' A' ' 78' ' ' HIS . 1.3 mp -56.16 -13.16 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.21 -61.2 2.69 Favored Glycine 0 N--CA 1.492 2.387 0 CA-C-O 122.269 0.927 . . . . 0.0 112.037 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' A' ' 85' ' ' ARG . 42.1 t -91.69 -20.83 6.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 CA-C-N 113.745 -1.228 . . . . 0.0 112.026 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.2 p 51.85 -9.51 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 116.995 2.221 . . . . 0.0 116.995 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -75.38 72.97 2.44 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 . . . . . 0 N--CA 1.503 2.177 0 CA-C-O 115.972 -1.966 . . . . 0.0 110.785 179.59 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.277 0.561 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.468 ' C ' ' H ' ' A' ' 62' ' ' ARG . 46.6 mm -44.97 -48.66 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.545 HD13 ' H ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -65.83 14.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.576 ' N ' HE21 ' A' ' 65' ' ' GLN . 51.0 ttt180 -137.83 -38.15 0.58 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.05 -48.68 87.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -32.88 74.47 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.201 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.635 ' NE2' ' H ' ' A' ' 65' ' ' GLN . 2.8 mp0 -56.52 -20.92 22.77 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 113.223 -1.808 . . . . 0.0 114.209 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.57 -31.4 65.21 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.093 0.949 . . . . 0.0 111.497 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 67' ' ' LEU . 5.9 mp -77.34 -46.18 23.72 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.51 -39.13 89.88 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 112.465 -2.152 . . . . 0.0 106.683 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.39 -48.64 62.53 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 113.768 -1.56 . . . . 0.0 107.922 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.47 -43.59 87.31 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 CA-C-N 114.347 -1.297 . . . . 0.0 112.857 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -65.45 -31.26 72.25 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -94.39 -33.26 13.22 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.39 -49.28 67.37 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 117.145 -1.822 . . . . 0.0 106.086 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.02 -49.86 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.576 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.42 -55.44 29.64 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 116.131 1.212 . . . . 0.0 116.131 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 75.5 m -66.66 -6.12 14.34 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -82.78 -20.39 35.93 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.048 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.425 ' CD2' HG12 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -65.23 -40.28 93.86 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.105 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 t -176.54 37.97 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 123.671 0.607 . . . . 0.0 110.662 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 40.23 52.06 2.78 Favored 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 78' ' ' HIS . 26.9 mm -49.57 -25.55 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.373 0 CA-C-N 114.787 -1.097 . . . . 0.0 113.193 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -49.41 -25.04 5.79 Favored Glycine 0 N--CA 1.494 2.554 0 CA-C-N 113.561 -1.654 . . . . 0.0 113.817 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.13 -24.84 30.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.657 0.742 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.6 p -130.12 -58.74 1.06 Allowed 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.939 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 42.3 26.0 0.05 Allowed 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 122.524 1.154 . . . . 0.0 113.144 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 116.222 -1.847 . . . . 0.0 107.115 -179.984 . . . . . . . . 1 1 . 1 stop_ save_