data_2rm8_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 2rm8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.91 -37.6 34.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.624 0.769 . . . . 0.0 111.647 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.21 96.43 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.863 0.865 . . . . 0.0 111.216 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -58.25 -50.67 72.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.363 0.665 . . . . 0.0 111.315 170.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.6 -42.58 88.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.469 0.708 . . . . 0.0 112.565 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.3 74.11 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.706 0.802 . . . . 0.0 112.448 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -63.66 -36.71 84.73 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.89 0.876 . . . . 0.0 112.61 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.46 -47.24 50.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.594 1.158 . . . . 0.0 111.211 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.22 -38.16 88.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.981 0.912 . . . . 0.0 112.373 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 175.112 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.42 -40.8 66.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.913 0.779 . . . . 0.0 112.196 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.39 92.45 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.448 0.699 . . . . 0.0 111.664 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.55 -53.06 62.47 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.726 0.81 . . . . 0.0 111.147 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -57.11 -48.07 79.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.684 0.794 . . . . 0.0 112.215 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.57 -51.0 67.25 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.545 0.738 . . . . 0.0 112.289 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.52 -40.48 95.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.713 0.805 . . . . 0.0 112.439 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -70.73 -47.14 61.3 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.986 0.914 . . . . 0.0 111.331 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.17 -41.38 99.22 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.436 -0.79 . . . . 0.0 112.006 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.302 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.95 -40.4 72.02 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.526 -0.734 . . . . 0.0 112.393 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.06 89.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.313 0.645 . . . . 0.0 111.738 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.31 -45.82 92.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.362 0.665 . . . . 0.0 111.567 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.55 -44.42 97.07 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 112.235 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.36 90.36 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -68.49 -38.75 81.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.664 0.785 . . . . 0.0 112.227 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -40.18 85.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -66.16 -36.83 84.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.738 0.815 . . . . 0.0 112.419 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 173.32 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.7 -38.79 67.4 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.602 -0.686 . . . . 0.0 111.569 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.5 91.41 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.61 0.764 . . . . 0.0 112.17 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.6 -48.13 78.61 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.08 0.952 . . . . 0.0 111.68 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.39 -45.77 84.15 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.77 0.828 . . . . 0.0 112.003 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.31 75.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.513 0.725 . . . . 0.0 112.727 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -72.67 -29.63 63.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.32 -36.24 58.38 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.149 0.886 . . . . 0.0 111.909 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.4 -39.3 81.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.371 0.987 . . . . 0.0 112.239 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.876 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.62 -40.1 66.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.753 0.706 . . . . 0.0 112.149 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.34 95.02 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.696 0.799 . . . . 0.0 111.778 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.22 -47.07 87.78 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.985 0.914 . . . . 0.0 111.665 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.04 -46.43 88.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.829 0.852 . . . . 0.0 112.003 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.89 96.17 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.488 0.715 . . . . 0.0 112.56 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -62.55 -44.37 96.5 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.123 0.969 . . . . 0.0 112.099 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.91 -46.49 71.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.522 0.729 . . . . 0.0 111.519 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.23 -41.17 92.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.402 1.081 . . . . 0.0 112.581 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.447 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -36.75 84.31 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.283 0.947 . . . . 0.0 112.839 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -82.15 -37.3 26.4 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.282 0.633 . . . . 0.0 111.718 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.03 85.67 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.525 0.73 . . . . 0.0 110.709 169.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.81 -43.44 98.79 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.557 1.143 . . . . 0.0 112.616 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.07 95.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.01 0.823 . . . . 0.0 112.491 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -64.9 -39.69 93.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.108 0.963 . . . . 0.0 112.41 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -65.7 -49.45 68.47 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.162 0.985 . . . . 0.0 111.392 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.55 -38.82 87.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.653 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.318 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.44 -39.93 74.05 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.02 90.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.503 0.721 . . . . 0.0 111.727 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.57 -46.01 90.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.777 0.831 . . . . 0.0 111.596 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -61.52 -43.21 99.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.045 0.938 . . . . 0.0 112.31 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.21 90.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.599 0.76 . . . . 0.0 112.735 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -68.52 -35.96 78.19 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.519 0.728 . . . . 0.0 112.623 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.91 -43.4 79.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 111.259 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.98 -41.37 97.55 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.353 -0.842 . . . . 0.0 112.07 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.769 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 175.619 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.44 -38.51 29.94 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.629 0.772 . . . . 0.0 111.147 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.94 98.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.503 0.721 . . . . 0.0 111.379 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.42 -45.1 94.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.639 0.775 . . . . 0.0 111.829 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.89 -42.79 94.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.569 0.747 . . . . 0.0 112.386 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.39 86.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -68.5 -33.4 74.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.51 0.724 . . . . 0.0 112.749 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.36 -43.26 67.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.03 0.932 . . . . 0.0 111.393 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.86 -37.74 88.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.856 0.862 . . . . 0.0 112.418 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.149 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.02 -41.69 28.3 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.566 0.746 . . . . 0.0 111.185 175.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.38 94.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.151 0.58 . . . . 0.0 111.69 171.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.44 -47.78 80.49 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.379 1.072 . . . . 0.0 111.309 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -56.86 -46.66 81.65 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.248 0.931 . . . . 0.0 112.331 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.94 80.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.574 0.749 . . . . 0.0 112.719 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.32 -42.58 96.24 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.489 0.716 . . . . 0.0 112.185 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.0 -38.26 85.67 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.111 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.74 -42.3 82.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.6 1.545 . . . . 0.0 112.099 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 176.761 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.91 -38.5 76.3 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.367 -0.833 . . . . 0.0 112.07 172.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.23 93.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.731 0.812 . . . . 0.0 111.873 171.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.05 -48.22 80.75 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.598 0.759 . . . . 0.0 111.554 171.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -65.36 -31.63 72.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.12 79.06 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.565 1.075 . . . . 0.0 112.242 173.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -68.38 -35.29 77.48 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -64.94 -48.91 72.39 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.49 0.716 . . . . 0.0 111.066 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.62 -36.76 76.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.089 0.955 . . . . 0.0 112.541 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 174.009 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.2 -38.03 27.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.932 0.893 . . . . 0.0 111.486 173.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.38 84.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.847 0.859 . . . . 0.0 111.21 169.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.89 -49.86 75.77 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.148 0.579 . . . . 0.0 111.582 170.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -60.05 -40.14 88.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.575 0.75 . . . . 0.0 112.586 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.44 92.46 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.87 0.868 . . . . 0.0 112.45 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.05 -41.96 99.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.913 0.885 . . . . 0.0 111.917 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.68 -48.21 72.83 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.783 0.833 . . . . 0.0 111.615 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.95 -36.06 78.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.071 0.948 . . . . 0.0 112.526 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.369 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.54 -35.9 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.544 -0.722 . . . . 0.0 111.626 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.6 95.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.633 0.773 . . . . 0.0 112.072 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.49 -47.25 86.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.982 0.913 . . . . 0.0 111.584 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -59.88 -45.09 93.61 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.675 0.79 . . . . 0.0 112.307 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.15 91.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.929 0.892 . . . . 0.0 112.956 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -69.03 -38.0 78.93 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.842 0.857 . . . . 0.0 112.344 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -71.19 -35.63 71.63 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.826 0.739 . . . . 0.0 112.229 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.45 -39.34 91.93 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.339 -0.851 . . . . 0.0 112.036 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 123.92 0.888 . . . . 0.0 112.818 173.586 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.57 -35.55 45.79 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.449 -0.782 . . . . 0.0 112.15 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.97 87.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.278 1.031 . . . . 0.0 111.337 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.93 -49.74 75.72 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.112 0.965 . . . . 0.0 111.563 169.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.73 -39.97 86.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.576 0.751 . . . . 0.0 112.538 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.84 82.87 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.12 -36.59 83.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.062 0.945 . . . . 0.0 112.266 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.92 -48.73 62.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.929 0.492 . . . . 0.0 111.626 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.94 -34.06 74.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.713 1.205 . . . . 0.0 113.028 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.115 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.84 -38.5 37.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.485 0.714 . . . . 0.0 111.57 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.43 96.42 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.852 0.861 . . . . 0.0 111.251 170.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -59.8 -47.75 84.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.859 0.864 . . . . 0.0 111.686 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.88 -44.26 91.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.401 0.68 . . . . 0.0 112.578 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.96 92.85 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.631 0.772 . . . . 0.0 112.756 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.97 -38.99 76.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.857 0.863 . . . . 0.0 112.425 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.51 -39.18 91.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.995 0.816 . . . . 0.0 111.858 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.6 -40.66 88.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 112.23 174.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 123.791 0.836 . . . . 0.0 113.044 175.365 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.81 -38.05 33.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.68 0.792 . . . . 0.0 111.648 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.06 98.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.721 0.808 . . . . 0.0 111.743 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -61.32 -48.42 81.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.393 1.077 . . . . 0.0 111.642 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.31 -45.51 87.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.242 0.617 . . . . 0.0 112.017 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.08 71.57 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.685 0.794 . . . . 0.0 112.755 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -69.7 -29.22 66.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.55 -51.87 25.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.48 0.582 . . . . 0.0 111.56 169.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.47 -36.68 78.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.606 0.762 . . . . 0.0 112.318 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.786 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.35 -37.19 52.85 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.452 -0.78 . . . . 0.0 111.583 174.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.81 72.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.475 0.71 . . . . 0.0 112.628 170.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -66.43 -48.07 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.907 1.283 . . . . 0.0 111.379 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.42 -40.92 83.78 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.589 -0.694 . . . . 0.0 112.204 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.21 98.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.425 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -61.53 -38.97 89.36 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.996 0.816 . . . . 0.0 112.867 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.64 -48.89 70.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.938 0.79 . . . . 0.0 111.621 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.08 -36.13 83.35 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.525 -0.734 . . . . 0.0 112.227 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.584 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.95 -39.16 35.25 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.486 -0.759 . . . . 0.0 112.067 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.88 92.5 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.45 0.7 . . . . 0.0 111.33 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.67 -49.79 76.1 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.562 0.745 . . . . 0.0 110.975 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.58 -42.97 89.24 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.729 0.812 . . . . 0.0 112.878 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.33 83.74 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.77 0.828 . . . . 0.0 112.651 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.48 -33.42 75.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.894 0.878 . . . . 0.0 112.462 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.67 -49.65 51.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.717 0.807 . . . . 0.0 111.046 172.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -58.98 -37.49 76.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.123 0.969 . . . . 0.0 112.719 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 175.522 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.3 -38.48 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.606 -0.684 . . . . 0.0 111.491 171.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.84 99.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.778 0.831 . . . . 0.0 111.591 170.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.53 -48.34 82.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.653 0.66 . . . . 0.0 111.452 172.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.52 -45.18 89.38 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.94 0.791 . . . . 0.0 112.463 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.83 86.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.734 0.814 . . . . 0.0 112.64 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.49 -40.82 96.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.234 1.014 . . . . 0.0 112.255 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.01 -42.81 84.34 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.866 1.266 . . . . 0.0 111.389 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.46 -44.14 88.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.615 0.766 . . . . 0.0 112.196 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 123.636 0.775 . . . . 0.0 112.954 177.726 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.0 -31.53 59.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.764 0.826 . . . . 0.0 113.04 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.92 -43.06 65.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.314 0.646 . . . . 0.0 111.196 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.43 -47.46 83.89 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.135 0.574 . . . . 0.0 111.646 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.16 -43.92 92.09 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.65 0.78 . . . . 0.0 112.325 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.98 99.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.397 0.679 . . . . 0.0 112.824 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.94 -38.45 76.18 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.05 -42.22 89.81 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.644 0.656 . . . . 0.0 111.518 175.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.41 -41.85 93.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.85 0.86 . . . . 0.0 112.243 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 123.696 0.799 . . . . 0.0 112.986 177.148 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.44 -39.33 74.42 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.172 -0.955 . . . . 0.0 111.73 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.46 -37.25 74.26 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.599 0.76 . . . . 0.0 112.166 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.64 -46.39 90.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 171.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -41.57 99.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 112.254 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.51 97.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -69.65 -33.5 72.7 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.61 -44.64 73.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.659 0.784 . . . . 0.0 111.342 173.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.15 -36.91 85.58 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.028 0.931 . . . . 0.0 112.285 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 174.532 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.92 19.88 66.6 Favored Glycine 0 N--CA 1.476 1.313 0 C-N-CA 124.169 0.89 . . . . 0.0 114.501 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -159.03 146.08 17.24 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.984 1.713 . . . . 0.0 111.251 -174.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.3 -29.41 0.78 Allowed Glycine 0 N--CA 1.472 1.071 0 C-N-CA 125.025 1.297 . . . . 0.0 114.139 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -142.48 145.46 33.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.823 2.049 . . . . 0.0 111.975 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -160.12 -137.8 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.893 2.077 . . . . 0.0 108.102 -172.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.75 35.97 24.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.597 1.959 . . . . 0.0 112.981 169.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.9 m -63.54 6.7 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 127.845 2.458 . . . . 0.0 116.285 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.35 -32.65 73.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.586 1.554 . . . . 0.0 111.116 169.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 tp -155.38 -31.24 0.1 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.734 2.414 . . . . 0.0 113.008 -173.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 76.5 112.53 0.07 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 128.646 2.778 . . . . 0.0 112.942 169.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.4 m 70.63 -20.06 0.21 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 127.713 2.405 . . . . 0.0 114.948 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 63.12 20.46 12.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.224 2.21 . . . . 0.0 113.706 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -79.79 -2.75 44.65 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.521 1.528 . . . . 0.0 114.08 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -155.45 119.75 4.64 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.453 2.301 . . . . 0.0 108.224 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -98.76 28.19 4.44 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.028 1.731 . . . . 0.0 111.671 -173.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 64.83 40.35 5.56 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.121 1.769 . . . . 0.0 110.689 -169.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -4.11 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -171.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 95.47 -3.49 65.97 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.509 1.528 . . . . 0.0 114.659 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.85 -21.62 60.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.425 1.113 . . . . 0.0 112.367 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -84.15 -21.93 31.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.702 1.601 . . . . 0.0 114.278 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -169.27 136.36 1.76 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.656 1.582 . . . . 0.0 112.318 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -155.87 -155.63 0.57 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.835 2.054 . . . . 0.0 109.409 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.24 136.81 15.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.39 1.476 . . . . 0.0 112.198 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -84.89 36.39 0.61 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.902 2.081 . . . . 0.0 113.332 -172.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -145.4 -48.86 0.23 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.53 1.132 . . . . 0.0 112.943 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.94 -37.59 69.98 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.835 0.743 . . . . 0.0 111.619 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.0 mmt -71.48 -18.08 62.32 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.333 -0.854 . . . . 0.0 112.543 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -87.08 -5.32 59.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.468 1.507 . . . . 0.0 113.414 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -128.47 -25.75 2.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.252 1.021 . . . . 0.0 113.728 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.0 t -67.92 -32.0 72.15 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.812 1.187 . . . . 0.0 112.733 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 4.6 p -89.95 -9.55 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.995 1.318 . . . . 0.0 112.934 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -69.66 -32.53 71.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.257 1.023 . . . . 0.0 112.143 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.8 t -169.43 134.06 1.42 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.473 2.309 . . . . 0.0 109.492 169.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.9 m 178.65 -47.91 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.96 2.504 . . . . 0.0 111.127 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.04 -40.49 87.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.56 -22.71 56.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.76 0.824 . . . . 0.0 112.563 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.91 -37.6 34.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.624 0.769 . . . . 0.0 111.647 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.21 96.43 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.863 0.865 . . . . 0.0 111.216 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -58.25 -50.67 72.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.363 0.665 . . . . 0.0 111.315 170.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.6 -42.58 88.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.469 0.708 . . . . 0.0 112.565 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.3 74.11 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.706 0.802 . . . . 0.0 112.448 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -63.66 -36.71 84.73 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.89 0.876 . . . . 0.0 112.61 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.46 -47.24 50.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.594 1.158 . . . . 0.0 111.211 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.22 -38.16 88.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.981 0.912 . . . . 0.0 112.373 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.42 65.95 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -87.06 -44.71 11.36 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.999 0.92 . . . . 0.0 110.604 172.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -61.71 -29.02 69.83 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.793 1.237 . . . . 0.0 112.757 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.19 -22.06 66.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.43 1.092 . . . . 0.0 113.845 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -87.88 -25.1 23.44 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.232 1.013 . . . . 0.0 112.405 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -88.21 -35.95 17.05 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.764 1.226 . . . . 0.0 112.549 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -57.64 -25.75 60.62 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.828 1.251 . . . . 0.0 113.202 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -75.38 -9.06 58.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.681 1.192 . . . . 0.0 114.135 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -96.24 -2.63 45.7 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.12 1.368 . . . . 0.0 112.804 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 68.74 -65.55 0.28 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.995 2.518 . . . . 0.0 113.14 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 22.3 mm 59.62 4.99 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 126.583 1.953 . . . . 0.0 112.653 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 56.96 41.36 27.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.827 2.051 . . . . 0.0 112.13 -169.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.5 p -47.77 -38.34 15.41 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 -171.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.83 -27.27 64.73 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.8 -8.97 59.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.303 1.041 . . . . 0.0 112.643 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.5 mt -83.43 -2.96 57.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.788 1.235 . . . . 0.0 112.433 172.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -122.16 -57.97 1.74 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.413 1.485 . . . . 0.0 111.132 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 42.77 61.97 1.91 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.045 1.738 . . . . 0.0 114.445 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -64.25 109.71 1.97 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.993 0.917 . . . . 0.0 111.856 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -163.02 153.66 16.59 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.945 1.698 . . . . 0.0 111.767 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -82.54 -9.56 59.36 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 -173.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -43.45 101.13 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.259 1.823 . . . . 0.0 115.256 -169.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 126.354 1.862 . . . . 0.0 113.787 178.756 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.62 -139.95 10.9 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.197 1.379 . . . . 0.0 112.058 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -152.1 159.8 43.57 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.384 1.874 . . . . 0.0 112.303 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.54 99.99 0.13 Allowed Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.165 1.364 . . . . 0.0 111.191 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.19 139.97 48.5 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -172.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.9 mt -134.54 -46.92 0.75 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.992 2.117 . . . . 0.0 110.105 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -143.36 13.68 1.79 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.905 1.682 . . . . 0.0 112.304 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.3 m -81.75 15.15 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -169.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.06 -30.25 70.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.685 1.594 . . . . 0.0 111.419 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.8 tp -163.27 -41.89 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.968 2.107 . . . . 0.0 112.541 -169.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.289 9.6 pt-20 56.48 -25.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 131.69 3.996 . . . . 0.0 118.745 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -149.79 -119.68 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 128.334 2.654 . . . . 0.0 109.853 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 52.99 45.11 29.51 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.243 2.217 . . . . 0.0 112.61 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.14 88.59 4.24 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.757 1.623 . . . . 0.0 109.552 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -165.89 121.17 1.25 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.294 1.838 . . . . 0.0 110.279 -173.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -86.81 -8.91 56.9 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.85 1.26 . . . . 0.0 111.89 171.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -93.62 -21.32 19.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.238 1.415 . . . . 0.0 112.336 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . 0.273 0.2 OUTLIER 54.55 10.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 128.314 2.646 . . . . 0.0 116.8 170.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.94 11.58 85.26 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.296 1.426 . . . . 0.0 113.182 -171.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.9 t70 69.27 -22.67 0.15 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 129.482 3.113 . . . . 0.0 115.597 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.3 mt -138.62 -88.5 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.01 1.724 . . . . 0.0 110.53 -174.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -161.1 123.26 3.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.316 1.447 . . . . 0.0 110.487 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -151.11 25.46 0.72 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.662 1.185 . . . . 0.0 113.83 -169.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.41 168.14 25.76 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.133 2.173 . . . . 0.0 109.587 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -143.34 10.2 1.67 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -169.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -72.5 -11.2 60.57 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.461 -1.4 . . . . 0.0 114.397 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -37.76 13.78 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.677 0.791 . . . . 0.0 110.803 169.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 57.8 ttm -61.15 -29.6 69.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.076 0.95 . . . . 0.0 111.976 169.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -63.87 -15.8 59.85 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.735 2.014 . . . . 0.0 113.369 171.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -123.13 -14.46 7.53 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.959 1.304 . . . . 0.0 114.13 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 94.2 p -71.23 -18.0 62.48 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.405 1.457 . . . . 0.0 113.454 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.5 m -83.22 30.01 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 127.164 2.185 . . . . 0.0 112.22 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -60.75 -36.06 77.96 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.804 1.242 . . . . 0.0 114.008 -169.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.6 t -65.74 -30.64 71.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.749 0.82 . . . . 0.0 112.539 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.7 m -78.09 -36.63 47.87 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.568 0.747 . . . . 0.0 111.681 174.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.96 -42.98 84.28 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.882 0.873 . . . . 0.0 111.922 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.46 -35.79 75.96 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.032 0.933 . . . . 0.0 112.614 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.42 -40.8 66.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.913 0.779 . . . . 0.0 112.196 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.39 92.45 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.448 0.699 . . . . 0.0 111.664 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.55 -53.06 62.47 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.726 0.81 . . . . 0.0 111.147 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -57.11 -48.07 79.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.684 0.794 . . . . 0.0 112.215 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.57 -51.0 67.25 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.545 0.738 . . . . 0.0 112.289 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.52 -40.48 95.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.713 0.805 . . . . 0.0 112.439 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -70.73 -47.14 61.3 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.986 0.914 . . . . 0.0 111.331 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.17 -41.38 99.22 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.436 -0.79 . . . . 0.0 112.006 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.74 -18.9 63.54 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.7 -44.59 11.7 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.908 0.883 . . . . 0.0 110.03 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -66.41 -31.31 71.99 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.163 0.985 . . . . 0.0 112.755 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.0 -23.96 65.07 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.378 1.071 . . . . 0.0 113.505 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -87.58 -37.42 16.85 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.781 0.832 . . . . 0.0 111.412 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -35.06 79.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.12 1.368 . . . . 0.0 112.267 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -76.46 -23.7 53.87 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 171.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.36 -22.68 17.58 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -174.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -153.16 148.26 26.72 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.441 1.097 . . . . 0.0 112.097 -169.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -168.28 -35.27 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.181 1.792 . . . . 0.0 113.255 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 17.8 tt -66.59 -23.35 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 120.752 -1.217 . . . . 0.0 113.261 -172.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -62.59 -19.63 63.91 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.4 m -84.5 -35.44 22.93 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.258 1.423 . . . . 0.0 110.757 174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.75 -30.12 65.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.015 0.926 . . . . 0.0 111.974 172.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.6 tp -70.59 -14.22 62.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.11 1.764 . . . . 0.0 112.516 169.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 12.5 tp 65.98 23.91 11.15 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.003 2.121 . . . . 0.0 112.633 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.82 113.06 2.44 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.724 1.21 . . . . 0.0 110.614 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -89.79 18.38 5.67 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.038 1.735 . . . . 0.0 113.305 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -126.29 -178.59 4.38 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.459 1.904 . . . . 0.0 112.888 -169.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -137.33 -172.59 3.25 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.817 1.647 . . . . 0.0 112.443 -170.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -71.59 -2.6 17.62 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -174.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.5 t60 60.72 68.52 0.74 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.519 1.928 . . . . 0.0 112.68 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.79 2.036 . . . . 0.0 113.657 -172.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.256 0.075 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.55 120.67 0.43 Allowed Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.887 1.708 . . . . 0.0 112.46 -176.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -159.98 78.03 0.67 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.767 1.227 . . . . 0.0 111.316 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.41 -8.77 31.46 Favored Glycine 0 N--CA 1.476 1.345 0 C-N-CA 125.868 1.699 . . . . 0.0 114.42 -174.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -166.43 154.66 10.37 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 129.553 3.141 . . . . 0.0 109.548 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -128.54 2.61 5.57 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.462 1.505 . . . . 0.0 114.195 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -93.6 -36.24 12.48 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.012 1.325 . . . . 0.0 111.599 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.1 p -66.08 -5.09 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.64 1.576 . . . . 0.0 113.354 173.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -58.44 -36.7 74.05 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.077 2.151 . . . . 0.0 113.222 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.2 mt -152.95 -38.25 0.1 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 127.557 2.343 . . . . 0.0 112.389 -170.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 56.14 69.81 0.7 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.301 2.24 . . . . 0.0 112.416 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.3 t 179.29 158.61 0.62 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 129.299 3.039 . . . . 0.0 108.084 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -70.18 100.31 1.65 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.316 1.446 . . . . 0.0 109.572 172.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -48.3 97.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.125 2.57 . . . . 0.0 113.477 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -153.13 153.36 32.63 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.911 1.285 . . . . 0.0 112.76 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -156.9 46.03 0.41 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.401 1.88 . . . . 0.0 110.588 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 68.14 26.67 7.07 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.284 1.834 . . . . 0.0 112.289 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.0 pt -82.23 -24.48 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.352 1.461 . . . . 0.0 114.006 -172.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 76.91 0.08 68.01 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.144 1.354 . . . . 0.0 114.942 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.4 -30.88 70.83 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.942 1.697 . . . . 0.0 113.519 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.14 -8.02 53.92 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 113.015 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -128.08 8.1 6.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.511 1.924 . . . . 0.0 112.616 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.64 -140.06 0.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.454 1.901 . . . . 0.0 110.707 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.92 128.44 15.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.731 1.613 . . . . 0.0 110.529 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -163.49 -13.13 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -170.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.23 -27.87 69.35 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -169.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -90.33 -42.89 10.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 169.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 89.8 mtp -71.77 -14.17 61.92 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.452 1.101 . . . . 0.0 113.665 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -100.18 -19.3 16.49 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.438 1.495 . . . . 0.0 113.336 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -156.67 -1.54 0.12 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 117.858 2.54 . . . . 0.0 117.858 -169.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.7 p -136.59 -17.77 1.47 Allowed 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 121.695 2.043 . . . . 0.0 116.289 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 2.8 p -124.89 5.32 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.654 1.182 . . . . 0.0 112.558 169.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -60.59 -42.62 97.09 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.218 1.007 . . . . 0.0 112.402 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 27.3 m -75.47 -47.24 28.05 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.011 1.325 . . . . 0.0 110.854 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.9 m -65.8 -35.29 80.27 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.423 0.689 . . . . 0.0 112.858 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.92 -43.27 75.51 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.338 1.055 . . . . 0.0 111.145 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.47 -37.25 77.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.947 0.899 . . . . 0.0 112.336 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.95 -40.4 72.02 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.526 -0.734 . . . . 0.0 112.393 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.06 89.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.313 0.645 . . . . 0.0 111.738 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.31 -45.82 92.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.362 0.665 . . . . 0.0 111.567 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.55 -44.42 97.07 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 112.235 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.36 90.36 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -68.49 -38.75 81.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.664 0.785 . . . . 0.0 112.227 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -40.18 85.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -66.16 -36.83 84.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.738 0.815 . . . . 0.0 112.419 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.63 72.96 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 173.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -81.37 -30.14 33.8 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.626 0.77 . . . . 0.0 112.512 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -67.1 -37.82 84.61 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.385 -0.822 . . . . 0.0 111.299 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.74 69.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.096 0.958 . . . . 0.0 113.376 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -71.97 -28.44 63.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.507 0.723 . . . . 0.0 111.465 174.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -79.69 -31.81 41.32 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.36 -0.837 . . . . 0.0 111.73 172.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 44.3 mmm-85 -64.37 -38.21 90.25 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.019 0.827 . . . . 0.0 111.262 169.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -66.7 -13.52 61.39 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.56 -5.22 59.2 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.181 1.393 . . . . 0.0 112.862 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -77.47 44.86 0.45 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.086 1.354 . . . . 0.0 112.913 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 13.8 mt -78.34 62.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.831 1.652 . . . . 0.0 108.678 173.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -162.7 -36.74 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.133 2.173 . . . . 0.0 111.857 -169.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.1 p -81.39 -33.51 32.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.256 1.023 . . . . 0.0 112.208 173.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.81 -17.98 45.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.356 1.062 . . . . 0.0 113.006 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 19.7 tp -97.14 49.06 1.05 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.189 1.796 . . . . 0.0 110.236 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 65.2 tp -158.8 132.58 7.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.692 1.997 . . . . 0.0 109.294 -170.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.92 36.15 0.69 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.389 1.876 . . . . 0.0 110.848 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -135.98 10.47 3.33 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.147 1.779 . . . . 0.0 113.232 -169.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -61.9 -28.2 69.35 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 -169.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -139.35 -0.52 1.79 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.397 1.479 . . . . 0.0 114.256 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -81.73 -9.34 59.66 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.956 2.102 . . . . 0.0 114.489 -169.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . 0.256 34.6 p80 53.47 30.88 11.23 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 127.367 2.267 . . . . 0.0 116.666 170.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.687 1.595 . . . . 0.0 113.56 173.602 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 62.3 ttp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.78 131.98 5.08 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 125.06 1.314 . . . . 0.0 111.6 -174.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -142.87 -15.9 0.7 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.92 -25.56 37.44 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.441 1.02 . . . . 0.0 114.382 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.8 t70 69.98 134.47 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 129.271 3.028 . . . . 0.0 113.882 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.7 mt -87.93 -10.59 50.1 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -169.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -89.97 -10.3 45.55 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.218 1.007 . . . . 0.0 112.99 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.4 m -113.64 49.89 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 127.13 2.172 . . . . 0.0 110.517 173.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -107.02 24.21 13.17 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.208 2.203 . . . . 0.0 108.914 171.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp 72.11 19.44 4.56 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.601 2.36 . . . . 0.0 113.168 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -157.18 132.94 9.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.624 1.569 . . . . 0.0 109.47 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.2 m -139.49 22.4 2.53 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.112 1.365 . . . . 0.0 111.857 -172.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -161.82 131.41 4.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.919 1.688 . . . . 0.0 111.239 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -167.71 139.5 3.07 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.951 2.5 . . . . 0.0 109.943 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.265 36.6 mt-10 -115.2 26.65 9.95 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -173.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.15 5.22 10.61 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.2 167.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.04 -13.2 61.17 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.896 1.278 . . . . 0.0 111.957 174.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -53.11 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.848 1.659 . . . . 0.0 109.885 -178.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.55 35.0 26.95 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.288 0.947 . . . . 0.0 112.951 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.5 -24.68 61.11 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.661 1.584 . . . . 0.0 115.102 -170.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.3 -17.28 64.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.842 1.657 . . . . 0.0 112.728 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -126.02 14.65 7.92 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.156 1.782 . . . . 0.0 112.982 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.34 -9.3 59.77 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.793 1.237 . . . . 0.0 113.893 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -160.29 156.53 26.53 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.781 2.032 . . . . 0.0 110.991 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -138.42 -1.59 1.88 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -169.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.95 -19.76 61.85 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.642 -1.286 . . . . 0.0 113.58 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.96 -22.97 44.87 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.934 0.894 . . . . 0.0 112.56 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 12.3 tpt -73.92 -38.93 64.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.101 -1.0 . . . . 0.0 110.863 174.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -55.41 -30.85 61.21 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.945 1.298 . . . . 0.0 112.796 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -87.5 -36.18 17.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.84 1.256 . . . . 0.0 111.283 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.4 m -73.98 -32.85 63.62 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.65 -14.8 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 120.922 -1.111 . . . . 0.0 113.057 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -82.8 -10.83 58.68 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.684 1.194 . . . . 0.0 112.949 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 41.6 p -129.03 -43.6 1.33 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.322 1.449 . . . . 0.0 113.023 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 89.7 p -66.62 -22.8 66.11 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.7 tp -67.29 -28.45 68.02 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.321 1.048 . . . . 0.0 112.489 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.43 -32.48 42.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.988 0.915 . . . . 0.0 111.992 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.7 -38.79 67.4 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.602 -0.686 . . . . 0.0 111.569 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.5 91.41 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.61 0.764 . . . . 0.0 112.17 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.6 -48.13 78.61 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.08 0.952 . . . . 0.0 111.68 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.39 -45.77 84.15 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.77 0.828 . . . . 0.0 112.003 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.31 75.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.513 0.725 . . . . 0.0 112.727 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -72.67 -29.63 63.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.32 -36.24 58.38 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.149 0.886 . . . . 0.0 111.909 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.4 -39.3 81.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.371 0.987 . . . . 0.0 112.239 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.28 -24.77 67.78 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.47 -43.76 12.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.166 0.987 . . . . 0.0 111.328 172.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -62.92 -33.49 75.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.147 0.979 . . . . 0.0 112.38 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.45 -26.91 68.18 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -87.85 -28.32 21.68 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.925 1.29 . . . . 0.0 112.367 175.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -88.75 -31.6 18.33 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.649 1.58 . . . . 0.0 112.895 -172.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -67.6 -7.71 28.54 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.469 1.508 . . . . 0.0 113.998 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -69.88 -14.12 62.59 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -73.01 133.0 44.1 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.95 0.9 . . . . 0.0 110.701 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -91.98 3.89 54.22 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -169.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.08 -5.18 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -108.34 -1.38 20.06 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.231 2.212 . . . . 0.0 113.75 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.3 t -62.84 -33.41 75.2 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -68.53 -23.92 64.59 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.721 0.808 . . . . 0.0 112.677 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.74 -0.16 54.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.86 1.264 . . . . 0.0 112.315 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 88.7 mt -130.37 16.9 5.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.568 1.947 . . . . 0.0 112.47 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -116.83 84.05 2.08 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.528 1.531 . . . . 0.0 108.601 -175.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -136.01 15.87 3.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.723 1.609 . . . . 0.0 112.28 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -157.16 -179.3 8.07 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.875 2.07 . . . . 0.0 112.558 -169.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -151.64 172.51 15.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.709 1.603 . . . . 0.0 112.926 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -84.75 14.0 5.19 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.369 1.467 . . . . 0.0 114.599 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 71.92 13.51 6.0 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.222 2.209 . . . . 0.0 114.779 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 60.0 t60 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 128.647 2.779 . . . . 0.0 113.446 176.514 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 176.15 -139.73 4.73 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.791 1.186 . . . . 0.0 112.419 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -178.34 -49.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.785 2.434 . . . . 0.0 111.176 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -116.47 38.31 3.08 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 126.162 1.839 . . . . 0.0 113.312 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.17 123.76 18.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.321 1.848 . . . . 0.0 112.278 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.2 mt -145.26 -13.67 0.52 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.729 1.612 . . . . 0.0 114.274 -173.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 62.47 25.33 15.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.19 1.796 . . . . 0.0 113.97 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 m -70.23 97.08 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.827 2.051 . . . . 0.0 111.617 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 69.77 34.72 2.55 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.698 2.399 . . . . 0.0 109.472 -172.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.74 13.68 8.91 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.769 2.427 . . . . 0.0 112.37 -169.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 68.7 -176.62 0.21 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.313 2.245 . . . . 0.0 113.981 174.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.0 m -142.08 128.33 19.86 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.135 2.174 . . . . 0.0 107.515 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -140.1 128.1 22.17 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.19 2.196 . . . . 0.0 108.489 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 86.26 150.98 0.07 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 130.043 3.337 . . . . 0.0 111.642 -171.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' A' ' 116' ' ' GLU . 13.2 pt-20 -161.46 147.44 14.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.598 1.959 . . . . 0.0 110.763 -176.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.8 t70 63.85 -27.44 0.08 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.937 2.495 . . . . 0.0 113.62 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 114' ' ' GLU . 22.6 tt0 -111.39 36.36 3.25 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 128.201 2.601 . . . . 0.0 110.261 172.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.6 tp -138.97 149.33 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 127.264 2.225 . . . . 0.0 110.584 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -75.37 56.42 2.86 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.357 1.932 . . . . 0.0 112.126 170.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -47.12 -32.15 4.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.917 2.087 . . . . 0.0 114.759 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.5 mt -131.23 108.73 9.9 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.835 1.654 . . . . 0.0 108.28 169.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -85.42 120.0 26.4 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.418 0.687 . . . . 0.0 112.237 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -151.94 7.66 0.47 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.249 1.42 . . . . 0.0 113.778 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -166.52 162.67 16.88 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.396 1.878 . . . . 0.0 111.458 -173.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -141.03 -1.56 1.37 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.303 1.441 . . . . 0.0 113.607 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.77 -22.38 62.39 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.127 -0.983 . . . . 0.0 112.997 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.32 -41.57 76.54 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.004 0.922 . . . . 0.0 111.256 172.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 58.8 mtt -63.37 -32.88 74.42 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.879 0.872 . . . . 0.0 111.31 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -69.06 -11.44 60.79 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.794 1.638 . . . . 0.0 113.466 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -83.43 -54.53 4.9 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.82 1.191 . . . . 0.0 110.315 173.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.4 m -65.09 -29.19 70.05 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -169.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.54 -14.73 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -101.35 -18.95 15.82 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.533 1.133 . . . . 0.0 113.475 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 37.0 m -56.37 -53.88 52.18 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.006 1.322 . . . . 0.0 111.791 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.4 m -80.4 -30.2 37.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.9 tp -69.52 -41.46 75.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.895 0.878 . . . . 0.0 112.187 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.46 -30.33 64.47 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.922 0.889 . . . . 0.0 112.004 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.62 -40.1 66.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.753 0.706 . . . . 0.0 112.149 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.34 95.02 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.696 0.799 . . . . 0.0 111.778 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.22 -47.07 87.78 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.985 0.914 . . . . 0.0 111.665 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.04 -46.43 88.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.829 0.852 . . . . 0.0 112.003 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.89 96.17 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.488 0.715 . . . . 0.0 112.56 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -62.55 -44.37 96.5 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.123 0.969 . . . . 0.0 112.099 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.91 -46.49 71.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.522 0.729 . . . . 0.0 111.519 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.23 -41.17 92.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.402 1.081 . . . . 0.0 112.581 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.26 76.18 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.8 -28.94 22.66 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -83.3 -21.05 33.34 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.861 1.264 . . . . 0.0 113.767 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.68 87.85 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.418 -1.426 . . . . 0.0 112.756 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.15 -19.22 61.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.293 1.037 . . . . 0.0 113.131 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -81.38 -38.71 26.16 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.934 0.788 . . . . 0.0 111.431 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -74.86 -23.47 58.42 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.224 1.41 . . . . 0.0 113.427 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -55.9 -21.24 19.29 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.08 5.75 49.07 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 67.63 24.91 8.37 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.65 1.98 . . . . 0.0 113.622 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 9.1 tp -61.73 132.23 27.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 O-C-N 120.942 -1.099 . . . . 0.0 110.323 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 43.1 t30 70.66 2.28 4.06 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.616 1.966 . . . . 0.0 115.095 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 97.4 m -61.75 -25.0 67.18 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.768 -1.208 . . . . 0.0 112.48 173.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.13 -17.73 54.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.221 1.409 . . . . 0.0 114.173 174.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 26.2 tp -70.82 -6.52 38.54 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.936 1.294 . . . . 0.0 113.446 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 51.8 tp -71.56 88.72 0.95 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.318 1.447 . . . . 0.0 110.754 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -164.72 127.39 2.3 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.429 2.291 . . . . 0.0 108.464 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -144.31 32.39 1.21 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.771 1.628 . . . . 0.0 111.931 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -159.08 161.42 36.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.98 2.112 . . . . 0.0 112.239 -169.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 -17.01 1.91 Allowed 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -173.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 52.59 36.04 19.61 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.177 1.791 . . . . 0.0 114.052 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -78.44 83.38 4.66 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.45 1.1 . . . . 0.0 111.902 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 28.0 p80 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 127.397 2.279 . . . . 0.0 112.795 -174.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.07 152.56 29.49 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.659 1.123 . . . . 0.0 111.7 -171.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.26 -35.07 0.47 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.18 1.392 . . . . 0.0 113.233 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.01 -25.48 61.99 Favored Glycine 0 N--CA 1.473 1.165 0 C-N-CA 124.142 0.877 . . . . 0.0 113.45 171.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -143.91 134.62 25.04 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.186 2.594 . . . . 0.0 109.062 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.2 mt -122.15 -30.13 4.08 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -73.05 -25.16 60.82 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.453 -0.779 . . . . 0.0 112.685 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.0 m -77.56 3.83 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.089 1.756 . . . . 0.0 113.779 -177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.81 -45.04 94.49 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.234 1.413 . . . . 0.0 112.031 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.6 mt -139.46 -22.46 0.9 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.589 2.356 . . . . 0.0 113.314 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 70.1 115.12 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.688 2.395 . . . . 0.0 111.162 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.6 p -147.27 163.74 35.42 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.075 1.75 . . . . 0.0 110.387 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -144.29 124.16 13.47 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 130.123 3.369 . . . . 0.0 107.073 173.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -139.75 167.01 23.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.9 2.08 . . . . 0.0 110.67 -169.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -158.18 147.21 19.27 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 128.093 2.557 . . . . 0.0 110.037 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.09 40.17 0.68 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.564 1.146 . . . . 0.0 110.79 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.78 27.06 16.85 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.348 2.259 . . . . 0.0 112.448 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.5 pt -74.98 -16.82 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 90.25 -17.17 55.21 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 126.064 1.793 . . . . 0.0 114.67 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.0 t70 63.76 -0.43 0.77 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.371 2.268 . . . . 0.0 113.615 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.5 mt -155.55 164.41 38.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.665 3.186 . . . . 0.0 109.17 -171.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -63.14 135.26 57.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.962 0.905 . . . . 0.0 112.643 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -161.81 -159.9 0.65 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.857 2.063 . . . . 0.0 109.58 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -155.43 160.15 40.41 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.962 2.105 . . . . 0.0 111.255 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -111.59 6.9 20.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.798 1.239 . . . . 0.0 113.869 -170.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -150.15 -49.99 0.13 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.034 1.333 . . . . 0.0 112.008 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -66.79 -41.97 86.78 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.178 0.591 . . . . 0.0 111.879 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 68.7 mtt -83.95 -9.66 58.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -80.92 -36.06 31.59 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.246 1.019 . . . . 0.0 112.111 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -145.5 -38.18 0.26 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.7 m -68.16 -40.24 82.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.69 1.587 . . . . 0.0 113.047 -172.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.6 p -171.34 103.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.194 2.198 . . . . 0.0 110.251 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -61.45 -42.24 98.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.166 0.986 . . . . 0.0 112.178 174.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 8.9 t 158.59 94.4 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 131.191 3.796 . . . . 0.0 107.607 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.9 p -172.69 -52.84 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -169.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.4 mt -89.06 -2.52 58.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -169.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -132.59 -71.17 0.54 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.841 0.746 . . . . 0.0 111.82 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -36.75 84.31 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.283 0.947 . . . . 0.0 112.839 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -82.15 -37.3 26.4 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.282 0.633 . . . . 0.0 111.718 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.03 85.67 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.525 0.73 . . . . 0.0 110.709 169.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.81 -43.44 98.79 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.557 1.143 . . . . 0.0 112.616 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.07 95.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.01 0.823 . . . . 0.0 112.491 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -64.9 -39.69 93.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.108 0.963 . . . . 0.0 112.41 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -65.7 -49.45 68.47 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.162 0.985 . . . . 0.0 111.392 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.55 -38.82 87.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.653 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.1 -26.87 69.03 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -86.65 -50.0 7.11 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.96 0.904 . . . . 0.0 111.367 172.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -68.85 -43.05 76.22 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.904 0.882 . . . . 0.0 112.844 -170.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.0 -17.51 61.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -85.01 -35.02 22.22 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.923 0.889 . . . . 0.0 110.991 170.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -80.84 -35.52 32.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.826 1.25 . . . . 0.0 112.664 -172.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -82.54 -18.46 41.38 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.62 -23.41 17.64 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -162.56 134.63 5.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.839 0.856 . . . . 0.0 111.835 -174.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.97 99.81 12.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.357 1.063 . . . . 0.0 109.031 170.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 48.1 pt -80.77 18.43 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.276 1.43 . . . . 0.0 112.938 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 63.27 31.79 15.2 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.724 2.009 . . . . 0.0 111.834 -169.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.8 t -53.14 -35.14 59.39 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.753 1.621 . . . . 0.0 114.799 -169.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.79 -17.76 62.15 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 67.6 mt -101.95 -0.61 33.55 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.982 1.713 . . . . 0.0 112.835 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 81.0 mt -80.5 90.57 5.68 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.834 1.254 . . . . 0.0 109.111 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -139.65 106.07 5.3 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.678 1.591 . . . . 0.0 108.776 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -140.15 7.85 2.24 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.192 1.397 . . . . 0.0 112.951 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -163.83 164.49 23.52 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.297 2.639 . . . . 0.0 110.311 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -147.28 147.05 29.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.213 1.005 . . . . 0.0 113.543 -176.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -82.68 45.74 1.01 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.675 1.99 . . . . 0.0 113.484 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -71.94 -9.2 58.02 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 127.533 2.333 . . . . 0.0 111.572 -179.244 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 168.14 145.24 4.47 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.225 1.393 . . . . 0.0 112.047 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -156.22 149.29 24.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.462 1.905 . . . . 0.0 111.368 -177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.98 21.51 35.76 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.786 1.184 . . . . 0.0 114.535 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.65 139.29 57.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.305 1.442 . . . . 0.0 112.228 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.0 39.67 13.06 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.432 1.493 . . . . 0.0 111.873 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -150.15 -34.89 0.17 Allowed 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -175.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.3 m -116.56 107.28 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.233 1.413 . . . . 0.0 110.07 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -166.91 -55.47 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 127.691 2.396 . . . . 0.0 109.198 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 tp -161.46 -5.05 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.057 1.743 . . . . 0.0 114.635 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -84.7 82.95 8.2 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.1 -1.0 . . . . 0.0 111.264 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.1 p -152.75 127.61 9.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 127.848 2.459 . . . . 0.0 108.434 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 63.0 ttt-85 -141.13 -121.55 0.11 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.846 1.259 . . . . 0.0 111.237 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . 0.252 5.9 ptt180 73.97 159.76 0.22 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 128.137 2.575 . . . . 0.0 111.292 -169.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -44.99 131.36 7.32 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.401 1.881 . . . . 0.0 113.784 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -100.32 27.93 5.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.933 1.693 . . . . 0.0 111.25 173.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 73.66 18.6 3.44 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.905 2.082 . . . . 0.0 111.914 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.3 pt -82.32 -19.94 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.736 1.614 . . . . 0.0 113.778 -173.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.91 -11.48 47.6 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.857 1.694 . . . . 0.0 114.838 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t70 55.54 38.1 29.77 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.495 1.918 . . . . 0.0 112.746 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 tt 67.86 82.36 0.18 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.545 2.338 . . . . 0.0 110.694 -170.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -66.26 144.5 56.56 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.598 1.159 . . . . 0.0 113.481 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.6 85.4 7.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.776 1.231 . . . . 0.0 111.665 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.87 114.38 21.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.589 1.156 . . . . 0.0 111.618 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -157.02 35.69 0.29 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.582 1.953 . . . . 0.0 110.93 174.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.63 -24.78 65.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.22 1.408 . . . . 0.0 114.547 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.54 -40.6 80.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.549 0.74 . . . . 0.0 111.17 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 35.9 mmt -73.65 -27.3 61.19 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.674 0.79 . . . . 0.0 111.97 174.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 -73.52 -12.07 60.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 169.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -107.51 -34.9 6.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.763 1.625 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 97.3 p -66.78 -18.2 65.26 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.555 -1.34 . . . . 0.0 113.95 -176.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 35.7 m -84.96 -5.01 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.8 1.64 . . . . 0.0 113.577 173.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -98.75 -28.15 13.63 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.401 1.081 . . . . 0.0 113.158 -174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 32.0 p -70.15 -51.6 30.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.848 1.259 . . . . 0.0 112.275 -169.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 55.6 p -70.58 -28.29 64.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.757 0.823 . . . . 0.0 112.893 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.01 -43.7 70.84 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.573 1.149 . . . . 0.0 110.538 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.98 -33.89 72.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.928 0.891 . . . . 0.0 112.279 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.44 -39.93 74.05 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.02 90.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.503 0.721 . . . . 0.0 111.727 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.57 -46.01 90.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.777 0.831 . . . . 0.0 111.596 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -61.52 -43.21 99.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.045 0.938 . . . . 0.0 112.31 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.21 90.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.599 0.76 . . . . 0.0 112.735 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -68.52 -35.96 78.19 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.519 0.728 . . . . 0.0 112.623 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.91 -43.4 79.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 111.259 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.98 -41.37 97.55 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.353 -0.842 . . . . 0.0 112.07 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.08 -25.74 68.24 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -86.51 -38.68 16.99 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.281 1.432 . . . . 0.0 112.026 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -83.64 -21.03 32.6 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.678 1.591 . . . . 0.0 114.313 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.28 -31.1 68.8 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 120.551 1.523 . . . . 0.0 114.098 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -73.87 -21.17 60.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.18 0.992 . . . . 0.0 112.574 172.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -88.48 -29.3 20.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.276 1.43 . . . . 0.0 111.536 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -62.61 -28.04 69.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.937 1.295 . . . . 0.0 112.663 169.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.41 -22.72 61.83 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.402 1.081 . . . . 0.0 113.913 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 69.13 168.87 0.29 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.027 2.531 . . . . 0.0 114.833 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -79.34 -3.9 48.38 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.706 2.002 . . . . 0.0 114.666 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 22.9 pt -60.28 98.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 126.647 1.979 . . . . 0.0 113.219 -169.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 48.3 t30 64.21 -1.98 0.65 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 127.257 2.223 . . . . 0.0 114.633 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 28.9 p -84.68 -61.74 1.71 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.999 1.719 . . . . 0.0 110.498 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -84.67 -27.21 27.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.078 1.351 . . . . 0.0 112.479 172.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.87 0.8 14.39 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 58.6 tp -150.63 114.49 5.01 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.715 1.206 . . . . 0.0 110.926 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.16 3.12 3.65 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.289 1.435 . . . . 0.0 112.962 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 68.69 125.88 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.98 2.912 . . . . 0.0 115.576 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -147.24 147.54 30.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.774 2.03 . . . . 0.0 110.731 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.34 151.47 34.92 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.866 0.866 . . . . 0.0 113.012 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -103.82 30.31 5.2 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.688 1.595 . . . . 0.0 112.237 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -71.04 1.99 5.02 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.838 1.655 . . . . 0.0 115.436 -174.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 65.3 t60 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.778 2.031 . . . . 0.0 111.702 -175.198 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.26 20.5 35.17 Favored Glycine 0 N--CA 1.477 1.373 0 C-N-CA 125.497 1.522 . . . . 0.0 115.118 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -153.03 152.32 31.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.474 1.51 . . . . 0.0 111.854 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.32 -34.73 3.04 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 125.511 1.529 . . . . 0.0 114.451 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.38 141.9 45.09 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.542 1.537 . . . . 0.0 112.735 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.6 14.69 4.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.925 1.69 . . . . 0.0 112.679 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -76.82 57.3 1.28 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.269 1.828 . . . . 0.0 112.431 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.76 112.53 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 126.412 1.885 . . . . 0.0 109.627 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 177.9 -56.17 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 128.715 2.806 . . . . 0.0 108.195 -173.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.37 -9.94 2.88 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.997 2.119 . . . . 0.0 112.86 171.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 61.95 -122.48 0.75 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.087 1.355 . . . . 0.0 110.49 170.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.1 m -153.03 114.58 4.25 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 127.647 2.379 . . . . 0.0 105.581 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -150.98 144.37 24.87 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.891 2.076 . . . . 0.0 109.245 -169.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -63.84 -41.75 97.74 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.624 1.57 . . . . 0.0 112.818 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.67 159.8 19.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.619 1.568 . . . . 0.0 113.57 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -138.78 26.86 2.48 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.139 2.176 . . . . 0.0 109.995 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 65.64 40.78 4.31 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.463 2.305 . . . . 0.0 111.475 -174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.7 tp -139.76 -39.82 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 70.26 32.32 68.74 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.741 1.162 . . . . 0.0 113.758 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -71.52 89.54 0.96 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.875 1.67 . . . . 0.0 112.605 -173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.7 tp -145.38 -56.87 0.32 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.767 2.027 . . . . 0.0 109.744 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -133.47 13.37 4.14 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.9 1.68 . . . . 0.0 113.212 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.6 95.68 5.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.899 1.679 . . . . 0.0 110.866 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.94 152.41 38.61 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.946 1.698 . . . . 0.0 112.093 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -65.21 -14.31 60.34 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.2 -26.89 68.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.968 0.907 . . . . 0.0 112.395 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.34 -40.23 74.22 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.537 0.735 . . . . 0.0 110.971 173.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 64.4 mtt -66.13 -37.59 86.08 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.387 -0.821 . . . . 0.0 111.125 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -64.03 -27.5 69.15 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.077 1.351 . . . . 0.0 113.375 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -99.05 -17.13 18.4 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.8 m -73.77 -16.8 61.16 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.626 -1.296 . . . . 0.0 113.558 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 32.3 m -90.65 6.82 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 125.736 1.615 . . . . 0.0 113.536 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -12.34 11.05 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -169.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.8 t -90.77 -23.1 20.75 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.303 1.441 . . . . 0.0 113.462 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 61.6 p -110.33 -33.35 6.66 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -169.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.85 -24.97 64.42 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.518 1.053 . . . . 0.0 113.265 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -84.27 -21.01 31.24 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.13 0.972 . . . . 0.0 113.021 173.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.44 -38.51 29.94 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.629 0.772 . . . . 0.0 111.147 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.94 98.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.503 0.721 . . . . 0.0 111.379 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.42 -45.1 94.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.639 0.775 . . . . 0.0 111.829 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.89 -42.79 94.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.569 0.747 . . . . 0.0 112.386 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.39 86.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -68.5 -33.4 74.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.51 0.724 . . . . 0.0 112.749 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.36 -43.26 67.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.03 0.932 . . . . 0.0 111.393 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.86 -37.74 88.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.856 0.862 . . . . 0.0 112.418 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.66 -27.42 69.22 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -86.6 -43.05 12.98 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.343 1.057 . . . . 0.0 112.156 171.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.32 -24.86 64.88 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.983 0.913 . . . . 0.0 112.286 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.09 -23.56 55.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.83 1.252 . . . . 0.0 113.811 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -87.57 -22.41 24.81 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.922 0.889 . . . . 0.0 112.266 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -88.78 -34.67 17.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.938 1.295 . . . . 0.0 112.245 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -76.04 -7.32 54.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.574 1.55 . . . . 0.0 114.434 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.46 -9.91 51.91 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -78.38 114.63 17.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.214 1.006 . . . . 0.0 110.341 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -150.63 17.54 0.8 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.544 1.138 . . . . 0.0 113.914 -173.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 20.3 tt -58.38 -24.29 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.921 -1.112 . . . . 0.0 113.303 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -56.75 -21.48 28.62 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.7 1.2 . . . . 0.0 113.586 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 82.6 p -68.84 -24.92 64.42 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.775 1.23 . . . . 0.0 113.523 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.45 -18.01 37.32 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.381 1.072 . . . . 0.0 112.956 172.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 10.8 mp -104.39 -0.1 28.44 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.986 1.715 . . . . 0.0 113.406 -172.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -155.14 127.49 7.81 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.619 1.567 . . . . 0.0 109.505 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -150.46 121.02 7.44 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.378 1.871 . . . . 0.0 108.221 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.32 10.73 2.3 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -173.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -79.6 38.76 0.39 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.534 1.934 . . . . 0.0 113.378 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -53.73 129.67 34.07 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.845 1.658 . . . . 0.0 112.853 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 67.45 5.35 4.25 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.925 2.09 . . . . 0.0 114.813 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . 0.267 23.1 p80 57.48 1.31 0.11 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 129.617 3.167 . . . . 0.0 118.186 174.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 128.061 2.544 . . . . 0.0 113.847 171.732 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 166.58 -52.38 0.25 Allowed Glycine 0 N--CA 1.472 1.035 0 C-N-CA 124.51 1.052 . . . . 0.0 113.315 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -164.18 141.99 7.02 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.929 1.691 . . . . 0.0 111.008 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.65 40.08 3.02 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.318 1.437 . . . . 0.0 115.002 -171.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -93.18 142.58 27.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.958 1.303 . . . . 0.0 112.614 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.22 -3.11 48.26 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.305 1.442 . . . . 0.0 113.892 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 71.42 2.94 4.47 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 128.12 2.568 . . . . 0.0 113.755 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.02 7.12 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 129.064 2.945 . . . . 0.0 113.604 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -58.46 -29.21 66.01 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.208 1.803 . . . . 0.0 113.322 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.56 -43.29 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.528 1.931 . . . . 0.0 111.27 -169.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -91.07 112.77 24.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.787 0.803 . . . . 0.0 112.21 -171.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.0 m -161.69 111.87 1.62 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 127.446 2.298 . . . . 0.0 106.69 169.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -164.22 30.78 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.968 1.307 . . . . 0.0 113.034 -169.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -147.77 113.31 5.65 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.315 1.446 . . . . 0.0 110.94 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -174.85 144.43 0.8 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.383 2.273 . . . . 0.0 110.093 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t70 66.71 -41.66 0.39 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 128.714 2.805 . . . . 0.0 114.138 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -67.34 -9.66 43.34 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.857 2.063 . . . . 0.0 112.049 169.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.9 pt -62.58 -19.18 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 127.115 2.166 . . . . 0.0 114.174 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 110.11 7.79 26.41 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 126.034 1.778 . . . . 0.0 114.578 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.5 t70 67.0 -66.38 0.19 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.963 2.905 . . . . 0.0 113.809 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.9 mt -145.06 0.56 0.94 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.717 2.007 . . . . 0.0 113.052 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -139.52 163.52 32.32 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.61 1.164 . . . . 0.0 113.855 -169.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -153.14 -145.5 0.17 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.677 1.991 . . . . 0.0 110.116 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -155.47 158.18 38.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.671 1.588 . . . . 0.0 112.206 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -105.08 -7.33 19.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.823 1.249 . . . . 0.0 113.769 -175.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.57 -37.67 85.43 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.398 -0.814 . . . . 0.0 111.933 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.72 -34.25 75.32 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.483 0.713 . . . . 0.0 112.145 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.5 mmt -65.24 -46.38 80.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.7 0.8 . . . . 0.0 110.702 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -70.53 -2.2 13.34 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.846 1.658 . . . . 0.0 113.967 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -122.79 -30.88 3.77 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.348 1.059 . . . . 0.0 113.221 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.7 m -111.27 -8.05 14.38 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.86 37.16 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 125.138 1.375 . . . . 0.0 110.381 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -65.56 -9.35 25.8 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 28.5 m -132.2 -45.36 0.93 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.648 1.179 . . . . 0.0 112.96 -172.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.5 p -84.26 -10.43 57.68 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.83 -42.34 93.32 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.943 0.792 . . . . 0.0 112.388 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.37 -29.1 62.41 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.02 -41.69 28.3 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.566 0.746 . . . . 0.0 111.185 175.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.38 94.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.151 0.58 . . . . 0.0 111.69 171.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.44 -47.78 80.49 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.379 1.072 . . . . 0.0 111.309 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -56.86 -46.66 81.65 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.248 0.931 . . . . 0.0 112.331 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.94 80.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.574 0.749 . . . . 0.0 112.719 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.32 -42.58 96.24 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.489 0.716 . . . . 0.0 112.185 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.0 -38.26 85.67 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.111 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.74 -42.3 82.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.6 1.545 . . . . 0.0 112.099 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.48 -26.37 68.41 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.13 -38.77 18.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.535 1.134 . . . . 0.0 111.776 170.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.31 -21.22 66.53 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.054 0.941 . . . . 0.0 112.025 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.68 62.77 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.98 0.912 . . . . 0.0 112.937 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -88.01 -35.83 17.36 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.072 0.949 . . . . 0.0 111.846 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -67.2 -33.8 76.14 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.69 -1.257 . . . . 0.0 112.548 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -74.95 -17.12 60.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.185 0.994 . . . . 0.0 113.15 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.98 -21.73 18.41 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.914 1.286 . . . . 0.0 113.832 171.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 78.68 143.91 0.08 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 129.906 3.283 . . . . 0.0 111.13 -169.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -61.31 -12.31 13.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.201 1.401 . . . . 0.0 114.78 -170.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.13 -15.94 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.119 -0.988 . . . . 0.0 113.302 169.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -78.81 -18.48 54.0 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.9 p -84.83 -27.83 26.49 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.185 1.394 . . . . 0.0 112.451 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.87 -17.87 62.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.954 1.301 . . . . 0.0 112.948 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.01 -7.96 0.91 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.263 1.825 . . . . 0.0 115.392 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 79.5 mt -79.76 -12.56 59.78 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.315 1.446 . . . . 0.0 113.284 171.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -157.19 9.08 0.19 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -71.15 -11.43 60.94 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -151.83 164.57 36.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.342 1.457 . . . . 0.0 114.188 -172.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -162.38 -31.35 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 128.236 2.614 . . . . 0.0 111.896 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -151.74 133.0 14.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.498 2.719 . . . . 0.0 108.718 169.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -71.89 93.34 1.33 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.933 0.893 . . . . 0.0 112.248 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 74.3 t60 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.906 2.082 . . . . 0.0 111.64 -178.88 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.1 ppp? . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.42 142.39 12.69 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.295 1.426 . . . . 0.0 112.526 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -163.08 141.86 8.42 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.241 1.817 . . . . 0.0 111.069 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.63 111.56 2.58 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.168 1.366 . . . . 0.0 111.897 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -161.33 142.93 11.69 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.167 1.787 . . . . 0.0 110.889 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -153.39 0.69 0.25 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.684 1.594 . . . . 0.0 114.527 -174.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -76.57 -40.73 48.83 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.949 0.795 . . . . 0.0 112.264 -174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.55 79.63 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-O 122.987 1.375 . . . . 0.0 110.004 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -168.79 -58.77 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.502 1.921 . . . . 0.0 109.47 -171.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.5 mt -146.4 -6.36 0.55 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.988 2.115 . . . . 0.0 113.952 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 74.4 126.58 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.08 2.552 . . . . 0.0 112.07 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.2 m -83.07 92.58 7.42 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.644 1.178 . . . . 0.0 108.509 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -111.4 -1.23 16.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.653 1.581 . . . . 0.0 114.634 -173.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -69.15 -54.68 13.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.742 1.217 . . . . 0.0 111.013 175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -170.69 144.95 2.4 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.53 2.332 . . . . 0.0 109.284 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -157.66 44.36 0.34 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.323 1.449 . . . . 0.0 110.335 -176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 62.68 37.81 12.48 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.754 1.621 . . . . 0.0 111.762 -173.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.4 pp -76.52 1.28 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -170.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.12 11.49 78.5 Favored Glycine 0 N--CA 1.474 1.208 0 C-N-CA 125.293 1.425 . . . . 0.0 115.394 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.5 t70 71.23 -35.32 0.33 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 129.259 3.023 . . . . 0.0 114.001 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.1 mt -144.02 131.88 21.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.421 2.288 . . . . 0.0 109.015 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -72.76 146.19 46.55 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.61 69.25 8.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.761 1.625 . . . . 0.0 112.495 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.14 129.17 34.85 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.711 1.204 . . . . 0.0 111.897 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -142.97 10.65 1.77 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.598 1.559 . . . . 0.0 113.231 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.63 -22.47 64.42 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.953 -1.092 . . . . 0.0 113.505 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -72.26 -42.42 65.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.596 0.758 . . . . 0.0 110.94 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 96.6 mmm -68.5 -15.6 63.6 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.351 -0.843 . . . . 0.0 113.024 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -79.63 -12.44 59.83 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.388 1.475 . . . . 0.0 112.998 172.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -128.62 -13.02 4.85 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 86.8 p -60.37 -26.71 66.83 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.57 -1.332 . . . . 0.0 113.599 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.67 -24.14 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.765 1.226 . . . . 0.0 113.266 173.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -92.17 -28.36 17.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.996 1.318 . . . . 0.0 112.054 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 82.6 m -93.46 -35.15 13.11 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.721 1.208 . . . . 0.0 112.881 -172.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 37.4 p -64.61 -27.07 68.69 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.7 tp -72.18 -34.36 68.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.88 0.872 . . . . 0.0 112.033 173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -79.03 -29.76 43.75 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.778 0.831 . . . . 0.0 111.844 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.91 -38.5 76.3 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.367 -0.833 . . . . 0.0 112.07 172.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.23 93.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.731 0.812 . . . . 0.0 111.873 171.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.05 -48.22 80.75 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.598 0.759 . . . . 0.0 111.554 171.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -65.36 -31.63 72.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.12 79.06 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.565 1.075 . . . . 0.0 112.242 173.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -68.38 -35.29 77.48 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -64.94 -48.91 72.39 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.49 0.716 . . . . 0.0 111.066 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.62 -36.76 76.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.089 0.955 . . . . 0.0 112.541 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.92 -26.02 67.41 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 174.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.42 -28.47 22.1 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.917 0.887 . . . . 0.0 112.303 173.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -82.86 -33.53 27.0 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.338 1.055 . . . . 0.0 113.287 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.91 -26.2 68.21 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.364 1.065 . . . . 0.0 113.52 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -87.38 -19.15 28.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.907 1.283 . . . . 0.0 113.083 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.63 -40.32 13.41 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.212 1.005 . . . . 0.0 112.535 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -70.32 -8.98 54.71 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.05 -13.34 61.95 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.221 1.408 . . . . 0.0 113.886 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.69 109.4 10.43 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.053 0.941 . . . . 0.0 110.438 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -163.95 130.24 3.12 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.08 1.752 . . . . 0.0 110.082 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 20.6 tt -160.93 -39.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.364 1.866 . . . . 0.0 110.951 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.31 -24.02 64.66 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.564 1.145 . . . . 0.0 113.505 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.4 m -69.31 -21.69 63.83 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.704 0.802 . . . . 0.0 112.998 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -74.68 -22.57 58.8 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.063 0.847 . . . . 0.0 113.108 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.4 tp -165.12 117.57 1.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.714 1.606 . . . . 0.0 110.447 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.09 -38.59 89.44 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.04 1.336 . . . . 0.0 113.421 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 74.57 51.55 0.09 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.359 2.264 . . . . 0.0 109.727 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -153.6 138.46 17.12 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.773 1.229 . . . . 0.0 112.476 -176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -141.23 104.21 4.58 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.04 2.136 . . . . 0.0 110.37 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -79.23 119.89 22.94 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.22 1.008 . . . . 0.0 113.638 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 50.0 m80 63.1 15.08 8.2 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.165 1.786 . . . . 0.0 115.441 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -86.06 42.05 0.96 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.673 1.589 . . . . 0.0 112.972 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 58.0 m80 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 126.611 1.965 . . . . 0.0 113.303 179.413 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.87 -146.42 5.26 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 125.491 1.519 . . . . 0.0 112.375 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.0 t70 72.05 148.97 0.09 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 128.592 2.757 . . . . 0.0 114.416 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.5 71.52 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.831 1.205 . . . . 0.0 113.15 174.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -158.44 126.42 5.21 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.354 1.462 . . . . 0.0 111.368 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.3 mt -139.94 2.09 1.91 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.232 1.813 . . . . 0.0 113.084 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -96.49 6.14 49.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.189 1.396 . . . . 0.0 114.005 -169.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.251 9.2 p -137.58 44.83 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 123.996 1.855 . . . . 0.0 111.323 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -94.13 5.02 53.05 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.797 2.039 . . . . 0.0 108.894 169.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.0 tp 63.85 48.67 3.1 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.107 2.563 . . . . 0.0 111.281 -175.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.47 127.68 25.95 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.89 172.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.7 t -159.85 -154.65 0.41 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.811 1.644 . . . . 0.0 110.236 -169.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -139.03 125.74 20.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.465 2.706 . . . . 0.0 108.277 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -142.93 23.36 1.9 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 74.54 119.89 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.719 2.408 . . . . 0.0 114.426 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -91.21 -14.46 30.97 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.02 1.328 . . . . 0.0 110.085 168.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -90.13 6.82 40.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.658 1.983 . . . . 0.0 113.157 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.9 pt -43.42 -25.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 131.86 20.53 1.06 Allowed Glycine 0 N--CA 1.472 1.079 0 C-N-CA 125.089 1.328 . . . . 0.0 114.962 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.28 -19.16 61.43 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 118.705 1.252 . . . . 0.0 113.503 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.0 tp -101.23 -1.2 34.33 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.656 2.382 . . . . 0.0 112.534 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -66.78 142.49 57.35 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.629 -1.295 . . . . 0.0 114.301 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -168.64 142.36 3.08 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.063 2.545 . . . . 0.0 108.973 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.98 146.75 24.3 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.813 1.245 . . . . 0.0 112.998 -176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -155.16 7.43 0.26 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.413 1.885 . . . . 0.0 112.469 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -63.58 -25.09 68.08 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.552 -1.343 . . . . 0.0 114.314 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -63.55 -32.62 74.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.21 1.004 . . . . 0.0 112.508 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 15.7 tpt -93.21 -29.16 15.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.771 1.229 . . . . 0.0 112.604 173.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -64.68 -15.92 62.09 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.496 0.718 . . . . 0.0 112.819 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -132.35 15.41 4.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.09 1.756 . . . . 0.0 112.281 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.6 p -62.51 -26.84 68.76 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 119.996 -1.69 . . . . 0.0 113.221 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.31 3.2 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.672 1.989 . . . . 0.0 114.288 175.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -70.46 -6.13 33.7 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.9 p -122.44 169.09 11.33 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.124 2.17 . . . . 0.0 110.756 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 50.3 m 74.13 -51.21 0.69 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.472 2.309 . . . . 0.0 113.7 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -9.76 58.92 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -177.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -111.46 -15.25 13.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.743 1.217 . . . . 0.0 111.897 169.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.2 -38.03 27.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.932 0.893 . . . . 0.0 111.486 173.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.38 84.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.847 0.859 . . . . 0.0 111.21 169.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.89 -49.86 75.77 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.148 0.579 . . . . 0.0 111.582 170.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -60.05 -40.14 88.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.575 0.75 . . . . 0.0 112.586 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.44 92.46 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.87 0.868 . . . . 0.0 112.45 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.05 -41.96 99.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.913 0.885 . . . . 0.0 111.917 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.68 -48.21 72.83 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.783 0.833 . . . . 0.0 111.615 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.95 -36.06 78.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.071 0.948 . . . . 0.0 112.526 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.29 -19.76 63.9 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -86.95 -44.14 11.85 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.01 0.823 . . . . 0.0 110.296 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -64.9 -22.7 67.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.157 0.983 . . . . 0.0 113.112 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.05 68.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.665 1.186 . . . . 0.0 113.481 173.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -87.62 -29.64 21.06 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.934 0.894 . . . . 0.0 112.245 173.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -88.56 -26.89 21.74 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -68.13 -9.77 49.09 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 172.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.9 -3.27 58.88 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.13 1.372 . . . . 0.0 114.252 173.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.59 132.13 43.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.351 1.061 . . . . 0.0 110.996 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -144.27 12.47 1.57 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 10.1 tp -59.97 -24.25 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 120.933 -1.104 . . . . 0.0 113.616 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -57.32 -18.02 15.04 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.09 1.356 . . . . 0.0 114.205 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.8 m -55.51 -31.38 62.01 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.994 1.317 . . . . 0.0 112.263 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -69.9 -17.8 63.36 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.5 pp -121.54 -5.07 9.27 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 69.7 mt -81.74 -5.41 58.12 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.735 1.214 . . . . 0.0 113.686 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -121.04 4.81 10.4 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.253 1.421 . . . . 0.0 113.964 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -67.91 -53.03 29.6 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.104 -0.997 . . . . 0.0 113.417 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -173.12 -102.47 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.866 2.466 . . . . 0.0 110.9 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -169.58 162.87 10.1 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.825 2.45 . . . . 0.0 110.846 -171.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.46 -25.55 67.56 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 121.166 -0.958 . . . . 0.0 113.27 172.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 39.8 t60 56.26 48.02 18.08 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.569 1.948 . . . . 0.0 114.423 169.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.123 1.769 . . . . 0.0 112.165 -176.751 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 79.5 mtm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.68 145.21 5.17 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.288 1.423 . . . . 0.0 112.487 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.02 135.2 9.03 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.922 1.689 . . . . 0.0 111.241 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.57 60.7 0.35 Allowed Glycine 0 N--CA 1.471 0.984 0 C-N-CA 125.626 1.584 . . . . 0.0 113.296 -172.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -152.7 143.73 23.05 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.042 1.337 . . . . 0.0 111.806 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.3 mt -119.97 -0.48 10.6 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.391 1.476 . . . . 0.0 113.595 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.1 -31.99 13.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.762 1.225 . . . . 0.0 111.851 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.87 2.34 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.035 1.734 . . . . 0.0 113.505 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.42 -59.5 3.12 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.457 1.903 . . . . 0.0 111.843 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.2 -14.31 20.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.544 1.937 . . . . 0.0 111.805 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 62.99 -175.83 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.694 2.398 . . . . 0.0 113.357 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.9 m -84.74 98.44 10.25 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 73.0 mtm-85 -64.86 97.43 0.22 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.094 1.758 . . . . 0.0 111.528 -171.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -150.28 130.53 13.66 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.797 2.839 . . . . 0.0 108.163 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.46 -51.68 2.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.567 1.147 . . . . 0.0 112.357 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 52.18 18.35 0.86 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.223 1.809 . . . . 0.0 115.537 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 64.8 25.12 12.89 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.093 2.157 . . . . 0.0 112.964 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.7 pp -75.77 -9.67 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 120.382 -1.449 . . . . 0.0 114.52 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.4 8.77 73.84 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.06 1.314 . . . . 0.0 115.062 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.5 t70 68.59 -15.67 0.23 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 128.316 2.646 . . . . 0.0 114.139 -172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.8 tp -153.09 126.78 8.82 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.937 2.895 . . . . 0.0 106.44 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -61.01 -21.08 63.25 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -169.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -163.31 128.97 3.14 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.503 1.521 . . . . 0.0 111.011 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -163.09 154.58 17.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.477 1.911 . . . . 0.0 111.289 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.8 13.17 2.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.369 1.467 . . . . 0.0 112.901 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -143.83 -30.42 0.49 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.127 1.371 . . . . 0.0 113.218 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.22 -47.11 71.8 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.823 0.738 . . . . 0.0 110.638 170.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 28.2 ptm -60.02 -23.61 63.82 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.887 0.875 . . . . 0.0 113.28 171.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.3 ttm-85 -82.29 -5.58 58.66 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.838 1.655 . . . . 0.0 113.379 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -133.21 -17.61 2.34 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 81.1 p -66.41 -27.02 67.52 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.305 1.412 . . . . 0.0 113.508 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.68 -10.45 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.935 1.694 . . . . 0.0 112.707 171.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -96.37 -15.57 21.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.285 1.434 . . . . 0.0 113.125 -171.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 37.8 p -89.15 -39.05 13.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.227 1.411 . . . . 0.0 111.915 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 62.7 p -68.22 -24.71 64.95 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.07 -13.44 61.2 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -88.2 -31.46 19.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.157 0.983 . . . . 0.0 111.347 172.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.54 -35.9 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.544 -0.722 . . . . 0.0 111.626 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.6 95.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.633 0.773 . . . . 0.0 112.072 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.49 -47.25 86.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.982 0.913 . . . . 0.0 111.584 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -59.88 -45.09 93.61 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.675 0.79 . . . . 0.0 112.307 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.15 91.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.929 0.892 . . . . 0.0 112.956 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -69.03 -38.0 78.93 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.842 0.857 . . . . 0.0 112.344 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -71.19 -35.63 71.63 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.826 0.739 . . . . 0.0 112.229 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.45 -39.34 91.93 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.339 -0.851 . . . . 0.0 112.036 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.22 78.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.92 0.888 . . . . 0.0 112.818 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -67.11 -41.59 85.97 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.942 0.897 . . . . 0.0 110.991 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -65.84 -41.93 91.14 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.79 -0.569 . . . . 0.0 111.554 173.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.47 -34.14 77.11 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.267 0.627 . . . . 0.0 112.421 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -67.3 -30.78 70.72 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.766 0.826 . . . . 0.0 112.162 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -75.08 -37.81 61.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.405 -0.809 . . . . 0.0 111.916 172.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -67.23 -30.05 69.86 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.68 0.792 . . . . 0.0 112.943 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.59 -12.68 61.48 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -59.22 137.36 58.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.155 0.982 . . . . 0.0 111.838 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . 0.292 1.9 pt-20 68.52 -10.81 0.44 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 129.057 2.943 . . . . 0.0 116.342 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.76 129.01 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.949 -1.094 . . . . 0.0 110.742 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 68.45 1.79 3.08 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.615 2.366 . . . . 0.0 115.161 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.3 p -64.09 -21.33 66.49 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.42 -17.87 64.88 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.006 1.322 . . . . 0.0 113.752 173.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.25 -53.32 1.11 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.697 1.199 . . . . 0.0 113.027 -174.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 88.8 mt 60.82 7.29 1.41 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.377 2.271 . . . . 0.0 114.668 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -161.15 41.75 0.16 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.932 1.693 . . . . 0.0 110.7 -172.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -63.02 -26.49 68.88 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.773 -1.204 . . . . 0.0 113.8 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . 0.425 ' HE2' ' CE1' ' A' ' 165' ' ' HIS . 85.2 t60 -162.59 154.26 18.18 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.994 2.118 . . . . 0.0 111.859 174.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -154.92 133.23 11.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.816 1.647 . . . . 0.0 111.358 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . 0.425 ' CE1' ' HE2' ' A' ' 163' ' ' HIS . 96.9 m-70 -81.25 84.48 6.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.384 1.073 . . . . 0.0 110.836 172.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -87.53 5.33 39.75 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.978 1.311 . . . . 0.0 114.496 -173.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 52.9 m80 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.371 1.868 . . . . 0.0 112.27 -170.429 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.02 -16.75 37.29 Favored Glycine 0 N--CA 1.477 1.375 0 C-N-CA 124.414 1.007 . . . . 0.0 114.929 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -151.41 147.36 26.8 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.2 1.8 . . . . 0.0 111.068 -173.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 173.38 42.42 0.04 OUTLIER Glycine 0 N--CA 1.469 0.868 0 C-N-CA 124.022 0.82 . . . . 0.0 114.584 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -132.33 94.41 3.44 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.323 1.449 . . . . 0.0 110.861 -175.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -160.39 -2.01 0.06 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -170.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.39 -0.19 21.86 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.406 1.482 . . . . 0.0 113.639 -173.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.08 11.62 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 127.749 2.42 . . . . 0.0 111.913 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -113.1 -67.29 1.01 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.618 1.567 . . . . 0.0 110.766 -170.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 tp -92.04 -2.53 56.62 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.613 1.965 . . . . 0.0 111.382 172.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -148.34 -169.48 3.36 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.366 1.866 . . . . 0.0 109.642 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.4 m -152.42 122.96 7.3 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.439 1.496 . . . . 0.0 108.656 170.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.5 129.7 1.61 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.945 2.098 . . . . 0.0 108.288 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.77 171.05 18.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.768 2.027 . . . . 0.0 110.732 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.84 147.21 43.61 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.838 1.655 . . . . 0.0 114.434 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.1 t70 173.25 -27.76 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 130.378 3.471 . . . . 0.0 110.133 -169.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.39 -2.31 22.31 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.042 1.337 . . . . 0.0 113.377 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.28 -35.44 71.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.285 1.434 . . . . 0.0 113.099 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.73 0.62 81.22 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 126.019 1.771 . . . . 0.0 114.227 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t70 69.15 -38.6 0.4 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 129.572 3.149 . . . . 0.0 115.057 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.46 -25.98 66.16 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.658 1.183 . . . . 0.0 113.06 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -81.33 -8.3 59.72 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.062 0.945 . . . . 0.0 113.274 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.74 9.11 37.24 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.016 1.726 . . . . 0.0 113.382 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.76 4.79 5.76 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.59 1.556 . . . . 0.0 114.695 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -63.98 -10.55 22.17 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.358 1.463 . . . . 0.0 114.652 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.87 -29.41 70.17 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.366 0.985 . . . . 0.0 112.865 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -76.72 -18.78 58.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.809 0.844 . . . . 0.0 112.707 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.1 mmt -89.03 -19.31 25.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.897 1.279 . . . . 0.0 112.213 171.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -81.31 -0.66 42.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.465 1.906 . . . . 0.0 112.126 169.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -145.38 -163.15 1.65 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.364 2.666 . . . . 0.0 107.02 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 26.0 p 66.16 -49.9 0.42 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.522 3.129 . . . . 0.0 115.646 171.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.99 -21.51 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.746 1.619 . . . . 0.0 112.943 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -72.34 -9.87 59.06 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.198 1.399 . . . . 0.0 114.356 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 28.6 m -132.47 -27.28 1.76 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.951 1.7 . . . . 0.0 112.656 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.4 m -69.43 -4.42 18.5 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -170.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.92 -41.23 97.71 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.037 -1.04 . . . . 0.0 111.146 170.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -74.85 -23.11 58.37 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.238 0.615 . . . . 0.0 112.464 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.57 -35.55 45.79 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.449 -0.782 . . . . 0.0 112.15 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.97 87.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.278 1.031 . . . . 0.0 111.337 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.93 -49.74 75.72 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.112 0.965 . . . . 0.0 111.563 169.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.73 -39.97 86.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.576 0.751 . . . . 0.0 112.538 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.84 82.87 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.12 -36.59 83.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.062 0.945 . . . . 0.0 112.266 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.92 -48.73 62.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.929 0.492 . . . . 0.0 111.626 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.94 -34.06 74.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.713 1.205 . . . . 0.0 113.028 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.05 -26.19 68.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -86.93 -43.34 12.47 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.663 0.665 . . . . 0.0 111.262 170.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -34.3 77.65 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.938 0.895 . . . . 0.0 112.915 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.71 -28.66 69.57 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.529 1.059 . . . . 0.0 113.741 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -78.24 -29.3 48.1 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.421 0.688 . . . . 0.0 111.72 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -88.91 -58.15 2.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.809 1.244 . . . . 0.0 113.084 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -33.58 14.09 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -171.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.82 -39.53 10.21 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 66.18 -27.34 0.11 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 128.914 2.885 . . . . 0.0 115.493 173.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -164.9 -97.58 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 128.184 2.594 . . . . 0.0 108.375 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 37.9 mt 65.36 -54.47 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 127.72 2.408 . . . . 0.0 111.647 -170.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -55.55 -46.94 77.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.142 1.377 . . . . 0.0 113.403 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.8 m -81.39 -22.97 37.95 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -80.37 -35.84 34.81 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.172 0.989 . . . . 0.0 112.073 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 tp -74.73 -48.42 25.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.183 1.393 . . . . 0.0 111.477 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 17.9 tp 72.13 147.87 0.08 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.085 2.554 . . . . 0.0 112.031 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -146.99 -46.38 0.18 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.457 1.103 . . . . 0.0 112.212 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -69.12 -12.18 61.45 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -143.85 15.84 1.76 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 126.343 1.857 . . . . 0.0 112.701 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -93.38 175.68 6.67 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.481 1.512 . . . . 0.0 113.104 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 68.0 t60 73.4 -34.15 0.28 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.879 2.872 . . . . 0.0 116.182 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.24 3.15 50.52 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.833 1.653 . . . . 0.0 113.684 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 127.13 2.172 . . . . 0.0 111.908 -175.778 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.6 -17.96 52.09 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 125.305 1.431 . . . . 0.0 114.65 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -162.58 140.07 8.18 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.968 2.107 . . . . 0.0 110.14 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.88 24.58 7.44 Favored Glycine 0 N--CA 1.474 1.177 0 C-N-CA 124.862 1.22 . . . . 0.0 115.636 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.27 0.16 52.83 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.728 1.211 . . . . 0.0 114.183 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 68.3 mt 70.39 -27.43 0.17 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.943 2.897 . . . . 0.0 115.375 169.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.32 -6.98 59.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.942 1.697 . . . . 0.0 113.183 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.05 87.97 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.505 1.922 . . . . 0.0 109.528 171.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -168.35 -56.93 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.565 1.946 . . . . 0.0 109.588 -169.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.9 mt -139.45 -17.87 0.99 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.703 2.001 . . . . 0.0 113.88 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 67.72 109.7 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 128.037 2.535 . . . . 0.0 114.146 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.7 m 68.41 11.62 8.42 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.886 2.074 . . . . 0.0 114.039 169.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -69.56 4.21 1.98 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -73.56 -43.11 60.63 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.134 1.773 . . . . 0.0 112.954 -175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -139.64 98.48 3.49 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 126.145 1.778 . . . . 0.0 112.317 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -125.59 10.94 7.89 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.268 2.227 . . . . 0.0 110.37 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -129.07 2.26 5.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.897 1.279 . . . . 0.0 114.116 -171.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.8 tp -65.55 -36.33 77.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 124.725 1.21 . . . . 0.0 113.101 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.94 -1.7 83.36 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 126.207 1.86 . . . . 0.0 114.092 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 63.23 -71.81 0.05 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 129.036 2.935 . . . . 0.0 113.643 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.1 mt -145.04 -0.63 0.88 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.032 2.133 . . . . 0.0 112.768 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -116.08 167.09 11.3 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -156.71 -47.24 0.07 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.117 1.767 . . . . 0.0 112.049 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -160.76 124.82 3.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.164 1.386 . . . . 0.0 111.807 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 70.12 -24.19 0.16 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 129.283 3.033 . . . . 0.0 115.908 169.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.26 -23.41 61.21 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.438 -0.789 . . . . 0.0 112.542 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -57.22 -43.88 83.24 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.693 0.797 . . . . 0.0 110.879 172.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -64.9 -49.82 68.94 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.493 0.717 . . . . 0.0 110.556 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -57.04 -33.08 66.85 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.443 1.097 . . . . 0.0 113.449 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -89.63 -40.67 12.43 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.663 0.665 . . . . 0.0 112.498 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.4 p -79.58 -19.97 48.1 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -174.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.93 -17.4 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.892 1.223 . . . . 0.0 112.686 174.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -71.44 -13.49 61.85 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.817 1.247 . . . . 0.0 113.687 174.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.0 p -132.83 -26.51 1.76 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.82 1.648 . . . . 0.0 113.489 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.1 m -72.2 -8.6 55.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.389 1.076 . . . . 0.0 113.67 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.52 -42.86 75.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.0 1.32 . . . . 0.0 111.383 173.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.05 -23.35 52.06 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.84 -38.5 37.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.485 0.714 . . . . 0.0 111.57 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.43 96.42 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.852 0.861 . . . . 0.0 111.251 170.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -59.8 -47.75 84.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.859 0.864 . . . . 0.0 111.686 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.88 -44.26 91.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.401 0.68 . . . . 0.0 112.578 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.96 92.85 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.631 0.772 . . . . 0.0 112.756 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.97 -38.99 76.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.857 0.863 . . . . 0.0 112.425 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.51 -39.18 91.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.995 0.816 . . . . 0.0 111.858 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.6 -40.66 88.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 112.23 174.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.86 73.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.791 0.836 . . . . 0.0 113.044 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -69.27 -45.85 68.67 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.808 0.843 . . . . 0.0 111.305 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.91 -33.48 76.11 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.821 -0.549 . . . . 0.0 112.091 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.29 64.9 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -87.51 -38.33 16.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.251 1.02 . . . . 0.0 111.228 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -69.59 -34.86 74.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.245 1.018 . . . . 0.0 112.768 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -75.99 -16.87 59.9 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.83 -9.76 39.22 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.888 1.275 . . . . 0.0 113.408 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 57.81 30.42 18.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.837 1.655 . . . . 0.0 112.711 175.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 70.54 5.13 5.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.398 2.279 . . . . 0.0 114.186 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.79 -24.03 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 O-C-N 120.36 -1.463 . . . . 0.0 111.107 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -64.62 -3.31 3.04 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.28 1.432 . . . . 0.0 114.709 171.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 91.7 m -58.72 -21.37 54.84 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.073 1.349 . . . . 0.0 112.63 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -66.34 -23.21 66.32 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.9 tp -165.64 112.18 0.92 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.464 1.505 . . . . 0.0 110.794 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -162.93 137.35 6.35 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.108 1.763 . . . . 0.0 110.726 -176.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -152.32 20.76 0.65 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.658 1.583 . . . . 0.0 111.807 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -82.73 21.28 1.02 Allowed 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.643 1.577 . . . . 0.0 113.823 -174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -74.75 -1.48 22.17 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.168 1.787 . . . . 0.0 115.05 -172.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -137.24 143.78 42.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.045 1.738 . . . . 0.0 111.939 -176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -81.66 88.38 6.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.729 1.211 . . . . 0.0 111.684 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -80.08 -18.18 50.67 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 76.8 t60 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 127.032 2.133 . . . . 0.0 112.345 -175.157 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.85 -13.36 62.66 Favored Glycine 0 N--CA 1.475 1.294 0 C-N-CA 124.418 1.008 . . . . 0.0 114.408 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -167.73 -40.06 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.945 1.698 . . . . 0.0 112.992 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.57 -30.65 9.97 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 125.233 1.397 . . . . 0.0 113.768 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -117.57 3.01 12.42 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.841 1.657 . . . . 0.0 112.808 172.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.7 mp 65.89 14.34 9.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 128.325 2.65 . . . . 0.0 113.604 170.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.77 40.46 0.31 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.266 1.826 . . . . 0.0 113.676 -172.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 p -168.02 93.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 127.83 2.452 . . . . 0.0 108.92 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -172.58 -58.04 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.12 2.168 . . . . 0.0 108.844 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.0 mt -135.73 -11.74 2.04 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.139 2.176 . . . . 0.0 113.403 173.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.08 -122.08 1.56 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.983 1.713 . . . . 0.0 111.49 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.2 t -159.61 141.7 13.38 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 128.312 2.645 . . . . 0.0 108.321 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 65.41 112.34 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 129.276 3.03 . . . . 0.0 112.745 -172.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -85.04 98.06 10.19 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.131 1.372 . . . . 0.0 109.378 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.7 154.22 24.06 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.892 1.677 . . . . 0.0 111.56 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -151.14 42.98 0.77 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.446 1.899 . . . . 0.0 109.981 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 62.86 32.24 15.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.624 1.97 . . . . 0.0 112.336 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -7.16 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.63 0.76 81.49 Favored Glycine 0 N--CA 1.473 1.138 0 C-N-CA 125.611 1.577 . . . . 0.0 114.885 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.2 t70 68.61 -23.18 0.14 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 128.788 2.835 . . . . 0.0 114.321 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.5 mt -137.32 126.53 24.63 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.831 2.452 . . . . 0.0 108.323 172.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -73.43 152.72 40.68 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.73 37.01 0.63 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.002 1.721 . . . . 0.0 113.881 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.65 161.12 42.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.612 1.565 . . . . 0.0 112.205 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -137.1 2.04 2.52 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.111 1.364 . . . . 0.0 113.475 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.07 -23.33 66.51 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.597 -1.315 . . . . 0.0 113.619 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.34 -39.21 71.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.462 0.705 . . . . 0.0 111.494 172.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.2 mmt -71.82 -30.0 65.03 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.075 0.95 . . . . 0.0 111.921 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -66.49 -42.26 87.7 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.539 1.136 . . . . 0.0 111.076 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -78.46 -36.11 45.74 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.181 0.993 . . . . 0.0 112.868 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.4 p -66.71 -21.72 66.08 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -173.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.2 t -93.69 -23.65 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.589 1.555 . . . . 0.0 111.721 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -84.14 -27.86 27.84 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.624 1.17 . . . . 0.0 112.761 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.9 t -89.01 154.77 19.94 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.313 1.445 . . . . 0.0 110.615 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.2 m 68.98 -41.54 0.47 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 128.022 2.529 . . . . 0.0 114.949 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.18 -34.85 78.98 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.217 1.007 . . . . 0.0 111.732 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -75.64 -24.53 56.42 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.874 0.87 . . . . 0.0 112.5 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.81 -38.05 33.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.68 0.792 . . . . 0.0 111.648 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.06 98.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.721 0.808 . . . . 0.0 111.743 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -61.32 -48.42 81.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.393 1.077 . . . . 0.0 111.642 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.31 -45.51 87.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.242 0.617 . . . . 0.0 112.017 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.08 71.57 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.685 0.794 . . . . 0.0 112.755 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -69.7 -29.22 66.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.55 -51.87 25.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.48 0.582 . . . . 0.0 111.56 169.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.47 -36.68 78.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.606 0.762 . . . . 0.0 112.318 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.81 -26.45 68.63 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.9 -44.23 11.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.953 0.797 . . . . 0.0 111.462 171.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -66.11 -21.64 66.36 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.571 1.148 . . . . 0.0 113.206 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.62 63.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.851 1.261 . . . . 0.0 114.044 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -83.74 -24.51 31.14 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.729 0.812 . . . . 0.0 111.735 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -88.48 -32.87 18.03 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.27 1.028 . . . . 0.0 112.731 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -80.45 -7.29 59.09 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -55.78 -22.47 24.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.103 1.361 . . . . 0.0 114.579 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -87.0 -2.86 58.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.951 1.3 . . . . 0.0 113.992 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -135.71 -18.12 1.66 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.95 -21.63 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 120.517 -1.365 . . . . 0.0 112.489 169.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -70.7 -9.15 56.53 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.413 1.485 . . . . 0.0 113.921 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -62.06 -21.25 64.78 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.349 1.46 . . . . 0.0 114.135 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.84 -18.21 65.27 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.78 50.11 1.76 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.181 1.392 . . . . 0.0 110.661 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 47.4 tp -79.59 85.08 5.36 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.192 1.397 . . . . 0.0 110.634 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -160.94 67.23 0.31 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.279 1.832 . . . . 0.0 108.7 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -93.02 70.08 4.54 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.537 1.135 . . . . 0.0 112.471 -169.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -61.22 152.33 29.15 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.851 1.66 . . . . 0.0 113.37 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 45.3 m80 60.74 -131.38 0.81 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.595 1.958 . . . . 0.0 111.221 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 67.77 -61.55 0.37 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.959 2.504 . . . . 0.0 113.484 -173.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 34.6 p80 45.88 29.37 0.71 Allowed 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 128.225 2.61 . . . . 0.0 117.305 169.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 73.0 t60 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.477 1.511 . . . . 0.0 113.044 -172.708 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.367 0.127 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.48 55.5 5.03 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 125.249 1.404 . . . . 0.0 113.394 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -161.36 142.33 11.26 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.913 1.685 . . . . 0.0 111.332 -175.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 78.4 34.35 36.48 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.214 0.912 . . . . 0.0 113.712 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -125.76 78.49 1.75 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.447 1.499 . . . . 0.0 111.592 -170.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.6 mp 67.14 5.32 4.08 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.63 2.372 . . . . 0.0 114.843 170.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.79 -26.1 65.03 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.448 -1.408 . . . . 0.0 112.713 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.12 0.35 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.276 2.23 . . . . 0.0 113.146 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.59 -60.82 2.25 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.721 1.208 . . . . 0.0 111.56 -176.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.8 mt -91.68 -11.19 37.64 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.365 1.866 . . . . 0.0 111.172 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.251 9.1 pt-20 54.81 12.95 0.64 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.304 2.642 . . . . 0.0 115.717 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.0 m -168.82 131.69 1.35 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 129.07 2.948 . . . . 0.0 107.185 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.76 27.2 0.38 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.643 1.177 . . . . 0.0 112.417 -173.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -162.88 142.97 9.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.588 1.955 . . . . 0.0 110.065 -174.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.3 159.14 37.23 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.405 1.882 . . . . 0.0 111.307 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -134.84 43.66 2.7 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.895 1.678 . . . . 0.0 110.908 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 72.44 16.84 4.87 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.711 2.005 . . . . 0.0 110.643 -169.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.0 tp -168.07 147.59 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 131.507 3.923 . . . . 0.0 106.111 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -76.31 0.76 62.77 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 119.203 -0.776 . . . . 0.0 114.458 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.7 t70 68.22 -40.72 0.43 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 129.771 3.228 . . . . 0.0 115.851 174.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.73 -6.65 48.19 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.567 1.547 . . . . 0.0 113.853 -175.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -133.46 16.38 4.03 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.066 1.747 . . . . 0.0 112.842 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.28 -3.61 27.99 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.299 1.44 . . . . 0.0 114.724 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.93 111.26 6.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.59 1.556 . . . . 0.0 110.779 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -75.84 -21.07 57.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 113.222 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.92 -41.3 82.83 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.75 -1.219 . . . . 0.0 111.856 171.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.36 -32.84 73.22 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.386 0.674 . . . . 0.0 111.601 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 49.4 ttm -63.17 -48.68 77.4 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.691 0.796 . . . . 0.0 110.824 170.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -63.81 -35.14 79.64 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.576 0.751 . . . . 0.0 112.933 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -69.1 -24.07 64.08 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.94 0.791 . . . . 0.0 112.865 171.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.4 m -90.03 -33.28 16.39 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.959 0.903 . . . . 0.0 112.896 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 49.9 t -73.71 -36.0 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.45 1.1 . . . . 0.0 111.626 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -67.85 -25.68 65.66 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.6 p -89.44 -28.62 19.6 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.226 1.41 . . . . 0.0 112.134 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.9 m -74.28 -11.53 60.3 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.798 1.239 . . . . 0.0 113.578 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.48 -32.93 74.8 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.59 1.156 . . . . 0.0 113.621 -171.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -77.12 -32.59 56.58 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.821 0.737 . . . . 0.0 112.046 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.35 -37.19 52.85 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.452 -0.78 . . . . 0.0 111.583 174.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.81 72.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.475 0.71 . . . . 0.0 112.628 170.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -66.43 -48.07 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.907 1.283 . . . . 0.0 111.379 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.42 -40.92 83.78 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.589 -0.694 . . . . 0.0 112.204 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.21 98.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.425 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -61.53 -38.97 89.36 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.996 0.816 . . . . 0.0 112.867 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.64 -48.89 70.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.938 0.79 . . . . 0.0 111.621 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.08 -36.13 83.35 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.525 -0.734 . . . . 0.0 112.227 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.34 -18.95 62.36 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -85.49 -35.2 21.33 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.22 1.008 . . . . 0.0 110.016 173.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -72.08 -27.29 62.57 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.875 0.87 . . . . 0.0 112.519 171.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.85 -22.98 60.7 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.043 1.337 . . . . 0.0 113.805 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -83.08 -34.58 26.13 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.404 0.682 . . . . 0.0 111.083 173.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -81.33 -32.56 32.95 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.591 -0.693 . . . . 0.0 112.636 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -72.67 -17.01 61.69 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 172.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.86 -8.33 37.6 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.97 1.471 . . . . 0.0 114.97 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -79.31 130.3 35.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.026 0.83 . . . . 0.0 111.018 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -152.67 23.63 0.59 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.786 1.234 . . . . 0.0 113.122 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 46.8 pt -67.01 -7.34 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -169.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -140.14 3.11 1.96 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.267 1.427 . . . . 0.0 113.44 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.3 m -67.08 -31.39 71.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.16 1.384 . . . . 0.0 112.802 -173.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.0 -18.09 60.9 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.991 0.916 . . . . 0.0 112.645 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.15 -5.57 29.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.39 1.476 . . . . 0.0 113.244 -175.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.8 tp -152.38 109.5 3.53 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.481 1.112 . . . . 0.0 111.231 -177.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -167.99 -50.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.317 1.847 . . . . 0.0 110.117 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -158.39 -149.21 0.21 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.46 1.904 . . . . 0.0 111.003 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 74.63 -44.42 0.55 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.154 2.982 . . . . 0.0 115.136 172.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -85.43 -10.58 56.0 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.572 1.549 . . . . 0.0 113.289 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -78.61 -6.51 55.82 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.539 1.536 . . . . 0.0 114.404 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 59.54 10.5 1.93 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 128.26 2.624 . . . . 0.0 117.413 169.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 76.8 t60 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.088 1.755 . . . . 0.0 112.1 -178.124 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.8 ptt? . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.735 0.303 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -163.15 134.77 3.53 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.837 1.684 . . . . 0.0 110.611 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.21 -12.64 29.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.098 1.759 . . . . 0.0 115.285 -170.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.01 41.25 2.39 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.791 1.662 . . . . 0.0 113.824 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -154.14 133.57 12.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.697 1.599 . . . . 0.0 111.765 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.29 -12.22 55.17 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -171.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.43 3.88 53.85 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.711 1.204 . . . . 0.0 112.691 176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.262 8.9 p -137.44 64.67 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 124.059 1.885 . . . . 0.0 110.34 172.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -117.27 13.78 14.67 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.74 2.416 . . . . 0.0 109.559 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 tp 61.15 37.13 17.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.359 2.264 . . . . 0.0 111.619 -173.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.13 146.75 20.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.526 1.13 . . . . 0.0 111.46 -170.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.5 p -132.89 112.03 11.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.55 1.94 . . . . 0.0 108.385 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 88.7 mtm-85 -96.5 106.0 18.17 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.894 1.677 . . . . 0.0 109.529 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -154.42 170.1 22.18 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.229 2.611 . . . . 0.0 111.046 -173.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.9 148.86 49.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.982 1.713 . . . . 0.0 112.586 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -160.82 51.03 0.27 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.978 1.711 . . . . 0.0 110.962 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 64.25 25.69 13.61 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.338 1.855 . . . . 0.0 112.888 -174.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.3 pt -76.85 -23.52 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.858 1.263 . . . . 0.0 114.033 -171.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.5 2.69 81.01 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.062 1.315 . . . . 0.0 114.751 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -89.08 -13.8 37.78 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.181 1.392 . . . . 0.0 113.203 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.1 mt -124.4 -0.48 8.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.829 1.651 . . . . 0.0 113.194 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -162.59 154.7 18.72 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.821 1.648 . . . . 0.0 112.119 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.27 85.02 1.91 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.264 1.425 . . . . 0.0 111.482 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.6 166.62 21.47 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.375 1.47 . . . . 0.0 113.733 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -119.47 42.22 2.92 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.405 1.882 . . . . 0.0 111.054 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.68 -28.01 69.64 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.22 -33.41 75.3 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.54 -0.725 . . . . 0.0 112.579 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -75.69 -44.23 43.3 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.171 0.988 . . . . 0.0 110.145 171.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -55.56 -41.08 72.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.938 1.295 . . . . 0.0 112.482 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -76.15 -32.14 58.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.885 0.874 . . . . 0.0 112.55 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 66.2 m -68.65 -39.92 80.49 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.281 0.946 . . . . 0.0 112.585 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.4 m -81.69 -4.09 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.08 -1.33 16.9 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.788 0.835 . . . . 0.0 113.169 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.0 t -154.61 169.46 23.81 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.322 1.449 . . . . 0.0 113.214 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.1 m -66.0 6.33 0.39 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.028 2.131 . . . . 0.0 114.5 -169.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.76 -19.62 54.79 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.056 0.844 . . . . 0.0 110.852 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -95.44 -19.15 20.12 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 169.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.95 -39.16 35.25 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.486 -0.759 . . . . 0.0 112.067 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.88 92.5 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.45 0.7 . . . . 0.0 111.33 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.67 -49.79 76.1 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.562 0.745 . . . . 0.0 110.975 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.58 -42.97 89.24 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.729 0.812 . . . . 0.0 112.878 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.33 83.74 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.77 0.828 . . . . 0.0 112.651 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.48 -33.42 75.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.894 0.878 . . . . 0.0 112.462 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.67 -49.65 51.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.717 0.807 . . . . 0.0 111.046 172.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -58.98 -37.49 76.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.123 0.969 . . . . 0.0 112.719 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.49 -24.11 66.35 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -87.03 -42.96 12.68 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.919 0.888 . . . . 0.0 110.782 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -59.71 -35.79 75.23 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.439 1.096 . . . . 0.0 112.252 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.08 -22.2 66.7 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -87.46 -36.45 17.67 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.397 1.079 . . . . 0.0 110.905 173.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -74.25 -40.16 62.54 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.284 1.034 . . . . 0.0 112.272 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -61.73 -32.56 72.8 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.553 1.141 . . . . 0.0 111.965 174.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.5 -10.36 50.97 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -87.97 2.13 52.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.859 1.264 . . . . 0.0 113.421 176.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -60.63 -16.61 40.43 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -172.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 9.5 tp -59.67 -26.95 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.068 0.947 . . . . 0.0 112.532 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -76.45 -19.57 57.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.384 1.074 . . . . 0.0 113.143 176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.9 m -84.37 -25.32 29.23 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.399 1.48 . . . . 0.0 111.893 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.77 -18.12 62.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.114 1.366 . . . . 0.0 113.434 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.14 -6.19 51.96 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.134 1.374 . . . . 0.0 113.527 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 11.6 tp -148.25 -142.72 0.13 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.526 1.13 . . . . 0.0 111.192 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -175.42 152.98 1.44 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 129.095 2.958 . . . . 0.0 107.326 -169.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -66.51 -19.52 65.81 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 68.42 161.96 0.2 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 127.615 2.366 . . . . 0.0 115.531 171.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -130.36 -3.71 4.34 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -172.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 42.2 t60 70.35 -32.23 0.23 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.777 2.831 . . . . 0.0 116.829 171.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -111.74 6.04 19.52 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.737 2.015 . . . . 0.0 112.733 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 71.7 t60 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.388 2.275 . . . . 0.0 111.232 -176.794 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.47 0.176 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.54 127.66 1.82 Allowed Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.4 1.0 . . . . 0.0 112.717 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -129.14 -1.49 5.14 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.774 1.629 . . . . 0.0 112.538 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -95.0 43.11 2.29 Favored Glycine 0 N--CA 1.469 0.849 0 C-N-CA 126.567 2.032 . . . . 0.0 112.517 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -158.26 143.47 16.58 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.386 1.475 . . . . 0.0 111.76 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 pp -147.68 4.95 0.78 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.658 1.983 . . . . 0.0 112.954 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -77.15 -34.84 56.42 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.432 -0.792 . . . . 0.0 112.299 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.77 3.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 125.666 1.586 . . . . 0.0 114.281 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.37 -38.49 90.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.365 1.866 . . . . 0.0 112.165 172.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.4 tp -156.34 -21.66 0.1 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.913 1.685 . . . . 0.0 114.774 -169.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 64.22 -168.8 0.2 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.649 2.38 . . . . 0.0 112.927 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.0 p -142.46 140.31 31.87 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.905 2.482 . . . . 0.0 108.451 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -135.69 107.95 7.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 127.095 2.158 . . . . 0.0 109.634 -172.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -73.21 -17.37 61.36 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.802 1.241 . . . . 0.0 114.095 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -161.24 149.18 15.46 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.729 2.012 . . . . 0.0 110.097 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -158.64 39.57 0.24 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.847 1.659 . . . . 0.0 110.681 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 64.39 48.43 2.77 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.051 1.74 . . . . 0.0 110.807 -170.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -108.01 -173.84 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 126.539 1.936 . . . . 0.0 111.278 -174.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.42 9.04 56.89 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 126.987 2.232 . . . . 0.0 115.362 -173.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.13 -18.43 64.43 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 118.788 1.294 . . . . 0.0 113.397 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.8 mt -97.96 -4.77 35.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.59 1.556 . . . . 0.0 113.557 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -160.47 99.51 1.3 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.087 1.355 . . . . 0.0 112.097 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.59 -149.33 0.15 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.574 1.95 . . . . 0.0 110.117 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -156.16 158.29 37.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.21 2.204 . . . . 0.0 110.647 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -157.0 -40.7 0.07 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -173.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.37 -45.49 79.91 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.332 0.969 . . . . 0.0 113.005 -172.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.62 -27.15 58.33 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.379 0.672 . . . . 0.0 112.173 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -67.51 -48.27 67.55 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.466 1.106 . . . . 0.0 110.368 173.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.75 -25.3 67.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.585 1.154 . . . . 0.0 112.726 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.71 -42.6 21.66 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.082 0.953 . . . . 0.0 111.072 170.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 m -72.47 -26.99 62.02 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -174.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.08 41.97 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.584 1.554 . . . . 0.0 111.578 174.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -60.83 -17.83 52.18 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 20.7 p -96.2 -50.37 4.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.184 1.794 . . . . 0.0 111.441 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.2 m -62.81 -26.75 68.89 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -175.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.28 -23.9 64.81 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -83.31 -30.42 27.55 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.841 0.856 . . . . 0.0 111.755 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.3 -38.48 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.606 -0.684 . . . . 0.0 111.491 171.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.84 99.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.778 0.831 . . . . 0.0 111.591 170.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.53 -48.34 82.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.653 0.66 . . . . 0.0 111.452 172.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.52 -45.18 89.38 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.94 0.791 . . . . 0.0 112.463 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.83 86.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.734 0.814 . . . . 0.0 112.64 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.49 -40.82 96.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.234 1.014 . . . . 0.0 112.255 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.01 -42.81 84.34 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.866 1.266 . . . . 0.0 111.389 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.46 -44.14 88.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.615 0.766 . . . . 0.0 112.196 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.03 82.32 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.636 0.775 . . . . 0.0 112.954 177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.53 -46.68 63.14 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.857 0.863 . . . . 0.0 111.03 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -61.01 -40.59 94.15 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.776 0.716 . . . . 0.0 111.524 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.62 -23.2 65.88 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -83.64 -33.6 25.24 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.554 0.742 . . . . 0.0 111.207 170.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -73.54 -21.76 60.28 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.896 -1.128 . . . . 0.0 113.084 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -75.43 -27.89 59.14 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.589 0.631 . . . . 0.0 111.217 168.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.63 -25.98 16.54 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -135.83 169.35 17.7 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.846 1.658 . . . . 0.0 112.261 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 75.09 11.21 3.6 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.374 2.27 . . . . 0.0 114.816 172.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 19.5 tt -63.15 -34.58 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 119.977 -1.702 . . . . 0.0 112.119 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -75.68 -6.4 50.3 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.954 0.902 . . . . 0.0 113.365 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 4.9 m -81.0 -34.38 32.99 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.23 1.012 . . . . 0.0 110.245 171.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -80.25 -40.39 27.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.375 1.07 . . . . 0.0 111.607 170.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 82.9 mt -104.7 80.79 1.69 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.473 1.509 . . . . 0.0 109.437 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.82 -20.41 65.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.927 1.291 . . . . 0.0 113.931 -170.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.23 112.61 11.83 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.925 1.69 . . . . 0.0 108.011 169.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -149.83 22.11 0.89 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.07 1.348 . . . . 0.0 113.167 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 73.05 161.57 0.25 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 128.002 2.521 . . . . 0.0 113.676 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -98.55 -89.67 0.3 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.355 1.462 . . . . 0.0 113.457 -171.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -159.3 46.45 0.28 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.646 1.578 . . . . 0.0 112.086 -169.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -71.09 -5.36 30.93 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -174.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.878 2.071 . . . . 0.0 112.009 -174.546 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.2 ttt . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.59 -12.81 68.76 Favored Glycine 0 N--CA 1.477 1.39 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -156.05 150.41 25.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.766 1.627 . . . . 0.0 112.203 -172.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.94 -100.29 0.2 Allowed Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.848 1.213 . . . . 0.0 111.069 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -86.47 -4.21 59.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.016 1.326 . . . . 0.0 114.425 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 66.9 mt 68.99 -0.49 2.41 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.834 2.453 . . . . 0.0 115.002 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -71.87 -17.81 62.09 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.001 -1.062 . . . . 0.0 113.349 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.9 m -67.04 0.07 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 126.406 1.882 . . . . 0.0 114.52 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -71.55 -57.21 4.62 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 126.135 1.774 . . . . 0.0 111.216 174.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.2 tp -84.38 -19.67 33.2 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.581 1.953 . . . . 0.0 111.376 171.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.307 10.9 pt-20 47.83 -113.4 0.52 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.874 2.07 . . . . 0.0 112.966 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.2 t -151.21 137.08 18.1 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 127.58 2.352 . . . . 0.0 108.782 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.49 2.19 2.44 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.557 1.543 . . . . 0.0 114.936 -172.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -86.34 -26.61 24.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.468 1.107 . . . . 0.0 113.204 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.267 22.2 mt-10 53.42 45.85 27.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.221 1.808 . . . . 0.0 114.105 -174.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -94.06 11.77 28.69 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.542 1.537 . . . . 0.0 110.067 169.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -125.16 6.31 7.84 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.301 1.44 . . . . 0.0 113.707 -169.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -33.34 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.071 1.349 . . . . 0.0 112.248 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.48 62.89 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.837 1.684 . . . . 0.0 114.863 175.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 61.06 16.6 7.23 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.744 2.017 . . . . 0.0 114.123 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 mt 62.4 19.2 10.94 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.118 2.167 . . . . 0.0 113.295 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -155.24 50.74 0.58 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.28 1.832 . . . . 0.0 110.896 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.97 -17.58 61.46 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -169.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -162.08 145.59 11.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.004 1.322 . . . . 0.0 112.648 -177.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -156.73 14.48 0.28 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.107 1.763 . . . . 0.0 112.604 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -65.03 -23.64 67.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 120.978 -1.076 . . . . 0.0 113.319 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.2 -58.66 7.38 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.551 0.74 . . . . 0.0 110.388 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 31.1 ttm -78.29 -7.16 56.88 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.44 1.096 . . . . 0.0 113.176 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.431 ' HA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -116.26 -6.5 11.83 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -178.694 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -161.24 -38.53 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 172.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.7 m -80.94 -17.17 51.42 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.058 1.299 . . . . 0.0 114.463 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 5.4 p -146.42 26.95 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 125.156 1.382 . . . . 0.0 111.864 169.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -69.31 -27.78 65.68 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.033 1.333 . . . . 0.0 113.979 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.3 p -158.45 165.77 33.82 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.094 2.158 . . . . 0.0 111.314 -174.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.6 t 81.54 -18.27 0.5 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 128.502 2.721 . . . . 0.0 115.595 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.6 tp -96.03 -25.06 16.06 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.319 0.963 . . . . 0.0 113.255 172.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -97.39 -45.15 6.57 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.835 1.254 . . . . 0.0 111.616 -175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.0 -31.53 59.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.764 0.826 . . . . 0.0 113.04 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.92 -43.06 65.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.314 0.646 . . . . 0.0 111.196 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.43 -47.46 83.89 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.135 0.574 . . . . 0.0 111.646 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.16 -43.92 92.09 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.65 0.78 . . . . 0.0 112.325 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.98 99.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.397 0.679 . . . . 0.0 112.824 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.94 -38.45 76.18 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.05 -42.22 89.81 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.644 0.656 . . . . 0.0 111.518 175.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.41 -41.85 93.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.85 0.86 . . . . 0.0 112.243 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.69 76.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.696 0.799 . . . . 0.0 112.986 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.77 -46.73 35.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.135 0.574 . . . . 0.0 111.286 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -70.53 -35.96 73.46 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -174.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.43 -26.88 66.63 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -87.42 -28.99 21.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.628 0.771 . . . . 0.0 111.874 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -74.39 -35.64 63.48 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.056 0.943 . . . . 0.0 112.179 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.3 ptm85 -77.03 -14.96 59.76 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 175.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -80.88 -17.97 48.85 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -175.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 72.89 150.98 0.11 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.98 2.512 . . . . 0.0 112.834 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -138.66 102.25 4.54 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.944 1.297 . . . . 0.0 110.156 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 20.5 tt -156.57 56.46 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.77 1.628 . . . . 0.0 110.026 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . 0.279 8.3 p30 60.37 7.59 1.35 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 128.097 2.559 . . . . 0.0 115.703 -173.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.4 p -56.33 -43.57 79.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 127.951 2.5 . . . . 0.0 113.417 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -83.29 -17.74 41.47 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.167 0.987 . . . . 0.0 113.303 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.6 -16.28 52.07 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.433 1.093 . . . . 0.0 113.295 -176.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 53.3 tp -99.63 90.78 4.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.198 1.399 . . . . 0.0 109.56 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -165.26 99.32 0.73 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.621 1.568 . . . . 0.0 108.467 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -157.87 -90.79 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.291 1.436 . . . . 0.0 110.564 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 47.2 m80 64.46 9.43 4.99 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.228 2.211 . . . . 0.0 115.294 169.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -86.83 -31.27 20.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.225 1.41 . . . . 0.0 113.349 -178.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -164.61 41.44 0.08 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.077 2.151 . . . . 0.0 111.044 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -71.99 -0.46 11.63 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -170.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.06 2.144 . . . . 0.0 111.726 -179.44 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.528 0.204 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -94.48 29.92 8.42 Favored Glycine 0 N--CA 1.475 1.275 0 C-N-CA 125.817 1.675 . . . . 0.0 114.522 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.11 132.82 46.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.809 1.243 . . . . 0.0 112.841 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.65 -31.76 3.1 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 124.982 1.277 . . . . 0.0 114.856 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -82.65 110.8 18.03 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.892 1.277 . . . . 0.0 111.516 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.96 -15.57 62.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.49 1.516 . . . . 0.0 114.408 -172.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.09 -17.79 51.69 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.352 1.061 . . . . 0.0 113.068 175.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.37 91.79 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.828 1.251 . . . . 0.0 107.809 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -167.93 -54.32 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.744 2.018 . . . . 0.0 110.437 -169.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.9 tp -141.44 -8.71 0.97 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.048 1.739 . . . . 0.0 113.075 -173.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -15.65 62.8 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 176.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.58 4.33 52.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.205 2.202 . . . . 0.0 113.188 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -59.43 -7.17 1.26 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.755 2.022 . . . . 0.0 115.484 -172.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -62.67 -30.27 71.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.76 1.224 . . . . 0.0 113.457 172.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.46 154.17 32.82 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.592 1.087 . . . . 0.0 112.786 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -145.65 47.97 1.26 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.689 1.596 . . . . 0.0 110.835 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 66.35 22.61 10.79 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.524 1.93 . . . . 0.0 110.779 -169.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.1 tp -168.65 149.52 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 131.634 3.973 . . . . 0.0 106.918 -175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.6 15.97 8.8 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 125.358 1.456 . . . . 0.0 115.336 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 64.8 -76.88 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.674 2.79 . . . . 0.0 113.057 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 99.2 mt -140.08 18.29 2.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.839 2.056 . . . . 0.0 112.319 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 76.28 150.27 0.11 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 128.753 2.821 . . . . 0.0 113.558 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -154.5 27.38 0.45 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -147.89 139.11 23.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.341 1.056 . . . . 0.0 112.519 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 68.17 -8.51 0.56 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 128.279 2.632 . . . . 0.0 116.168 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.03 -32.87 72.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.681 1.128 . . . . 0.0 113.784 -172.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -74.13 -37.61 64.03 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.949 0.899 . . . . 0.0 111.896 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 66.1 mtt -70.67 -39.82 73.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.088 0.955 . . . . 0.0 111.394 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -59.86 -18.07 41.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.392 1.877 . . . . 0.0 114.001 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -108.09 -38.69 5.71 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.928 0.891 . . . . 0.0 112.008 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.7 m -69.61 -31.63 69.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.889 1.222 . . . . 0.0 112.962 -173.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.3 t -86.17 -39.45 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.385 0.674 . . . . 0.0 110.827 175.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -71.6 -28.64 63.95 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 25.3 p -78.73 -46.35 19.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.802 0.841 . . . . 0.0 111.974 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.3 t -65.42 -24.59 67.24 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.91 3.22 53.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.531 1.532 . . . . 0.0 113.46 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -123.0 -29.52 3.91 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.44 -39.33 74.42 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.172 -0.955 . . . . 0.0 111.73 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.46 -37.25 74.26 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.599 0.76 . . . . 0.0 112.166 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.64 -46.39 90.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 171.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -41.57 99.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 112.254 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.51 97.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -69.65 -33.5 72.7 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.61 -44.64 73.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.659 0.784 . . . . 0.0 111.342 173.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.15 -36.91 85.58 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.028 0.931 . . . . 0.0 112.285 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.11 -21.66 66.36 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -86.48 -45.06 11.48 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.589 0.756 . . . . 0.0 110.748 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.19 -31.16 72.25 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.538 -0.726 . . . . 0.0 112.513 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.0 -23.39 63.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.888 1.275 . . . . 0.0 114.074 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -87.52 -27.61 22.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.411 1.084 . . . . 0.0 111.7 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -89.01 -27.44 20.86 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.676 1.59 . . . . 0.0 112.925 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -90.78 -6.09 54.81 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.641 1.976 . . . . 0.0 114.533 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -54.47 -0.95 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.23 0 N-CA-C 119.343 3.09 . . . . 0.0 119.343 -169.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 72.44 -80.0 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.639 2.375 . . . . 0.0 113.466 170.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 64.77 -43.17 0.31 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.247 3.019 . . . . 0.0 114.512 -173.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 18.6 tt -65.75 -26.64 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.195 1.398 . . . . 0.0 113.104 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -82.45 -0.84 48.12 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.715 1.206 . . . . 0.0 113.485 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 60.1 p -65.91 -21.08 66.42 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.608 1.563 . . . . 0.0 113.659 175.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.12 -17.93 21.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.686 1.594 . . . . 0.0 114.568 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.86 -10.11 57.28 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 176.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.52 85.78 4.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.413 1.085 . . . . 0.0 110.536 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -146.77 -10.59 0.46 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -88.26 -20.93 24.81 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -170.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -166.86 171.69 11.08 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.0 2.12 . . . . 0.0 111.776 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -151.78 -21.71 0.19 Allowed 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 55.5 m80 66.98 -6.58 0.55 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.565 2.346 . . . . 0.0 115.523 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 61.52 19.15 10.09 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 126.802 2.041 . . . . 0.0 114.513 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.409 1.884 . . . . 0.0 112.087 -173.181 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.91 -37.6 34.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.624 0.769 . . . . 0.0 111.647 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.21 96.43 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.863 0.865 . . . . 0.0 111.216 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -58.25 -50.67 72.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.363 0.665 . . . . 0.0 111.315 170.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.6 -42.58 88.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.469 0.708 . . . . 0.0 112.565 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.3 74.11 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.706 0.802 . . . . 0.0 112.448 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -63.66 -36.71 84.73 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.89 0.876 . . . . 0.0 112.61 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.46 -47.24 50.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.594 1.158 . . . . 0.0 111.211 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.22 -38.16 88.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.981 0.912 . . . . 0.0 112.373 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 175.112 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.42 -40.8 66.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.913 0.779 . . . . 0.0 112.196 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.39 92.45 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.448 0.699 . . . . 0.0 111.664 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.55 -53.06 62.47 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.726 0.81 . . . . 0.0 111.147 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -57.11 -48.07 79.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.684 0.794 . . . . 0.0 112.215 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.57 -51.0 67.25 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.545 0.738 . . . . 0.0 112.289 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.52 -40.48 95.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.713 0.805 . . . . 0.0 112.439 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -70.73 -47.14 61.3 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.986 0.914 . . . . 0.0 111.331 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.17 -41.38 99.22 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.436 -0.79 . . . . 0.0 112.006 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.302 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.95 -40.4 72.02 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.526 -0.734 . . . . 0.0 112.393 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.06 89.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.313 0.645 . . . . 0.0 111.738 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.31 -45.82 92.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.362 0.665 . . . . 0.0 111.567 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.55 -44.42 97.07 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 112.235 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.36 90.36 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -68.49 -38.75 81.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.664 0.785 . . . . 0.0 112.227 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -40.18 85.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -66.16 -36.83 84.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.738 0.815 . . . . 0.0 112.419 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 173.32 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.7 -38.79 67.4 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.602 -0.686 . . . . 0.0 111.569 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.5 91.41 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.61 0.764 . . . . 0.0 112.17 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.6 -48.13 78.61 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.08 0.952 . . . . 0.0 111.68 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.39 -45.77 84.15 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.77 0.828 . . . . 0.0 112.003 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.31 75.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.513 0.725 . . . . 0.0 112.727 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -72.67 -29.63 63.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.32 -36.24 58.38 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.149 0.886 . . . . 0.0 111.909 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.4 -39.3 81.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.371 0.987 . . . . 0.0 112.239 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.876 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.62 -40.1 66.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.753 0.706 . . . . 0.0 112.149 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.34 95.02 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.696 0.799 . . . . 0.0 111.778 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.22 -47.07 87.78 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.985 0.914 . . . . 0.0 111.665 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.04 -46.43 88.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.829 0.852 . . . . 0.0 112.003 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.89 96.17 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.488 0.715 . . . . 0.0 112.56 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -62.55 -44.37 96.5 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.123 0.969 . . . . 0.0 112.099 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.91 -46.49 71.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.522 0.729 . . . . 0.0 111.519 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.23 -41.17 92.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.402 1.081 . . . . 0.0 112.581 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.447 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -36.75 84.31 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.283 0.947 . . . . 0.0 112.839 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -82.15 -37.3 26.4 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.282 0.633 . . . . 0.0 111.718 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.03 85.67 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.525 0.73 . . . . 0.0 110.709 169.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.81 -43.44 98.79 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.557 1.143 . . . . 0.0 112.616 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.07 95.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.01 0.823 . . . . 0.0 112.491 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -64.9 -39.69 93.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.108 0.963 . . . . 0.0 112.41 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -65.7 -49.45 68.47 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.162 0.985 . . . . 0.0 111.392 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.55 -38.82 87.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.653 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.318 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.44 -39.93 74.05 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.02 90.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.503 0.721 . . . . 0.0 111.727 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.57 -46.01 90.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.777 0.831 . . . . 0.0 111.596 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -61.52 -43.21 99.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.045 0.938 . . . . 0.0 112.31 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.21 90.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.599 0.76 . . . . 0.0 112.735 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -68.52 -35.96 78.19 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.519 0.728 . . . . 0.0 112.623 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.91 -43.4 79.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 111.259 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.98 -41.37 97.55 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.353 -0.842 . . . . 0.0 112.07 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.769 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 175.619 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.44 -38.51 29.94 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.629 0.772 . . . . 0.0 111.147 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.94 98.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.503 0.721 . . . . 0.0 111.379 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.42 -45.1 94.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.639 0.775 . . . . 0.0 111.829 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.89 -42.79 94.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.569 0.747 . . . . 0.0 112.386 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.39 86.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -68.5 -33.4 74.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.51 0.724 . . . . 0.0 112.749 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.36 -43.26 67.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.03 0.932 . . . . 0.0 111.393 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.86 -37.74 88.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.856 0.862 . . . . 0.0 112.418 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.149 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.02 -41.69 28.3 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.566 0.746 . . . . 0.0 111.185 175.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.38 94.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.151 0.58 . . . . 0.0 111.69 171.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.44 -47.78 80.49 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.379 1.072 . . . . 0.0 111.309 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -56.86 -46.66 81.65 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.248 0.931 . . . . 0.0 112.331 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.94 80.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.574 0.749 . . . . 0.0 112.719 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.32 -42.58 96.24 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.489 0.716 . . . . 0.0 112.185 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.0 -38.26 85.67 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.111 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.74 -42.3 82.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.6 1.545 . . . . 0.0 112.099 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 176.761 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.91 -38.5 76.3 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.367 -0.833 . . . . 0.0 112.07 172.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.23 93.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.731 0.812 . . . . 0.0 111.873 171.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.05 -48.22 80.75 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.598 0.759 . . . . 0.0 111.554 171.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -65.36 -31.63 72.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.12 79.06 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.565 1.075 . . . . 0.0 112.242 173.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -68.38 -35.29 77.48 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -64.94 -48.91 72.39 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.49 0.716 . . . . 0.0 111.066 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.62 -36.76 76.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.089 0.955 . . . . 0.0 112.541 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 174.009 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.2 -38.03 27.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.932 0.893 . . . . 0.0 111.486 173.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.38 84.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.847 0.859 . . . . 0.0 111.21 169.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.89 -49.86 75.77 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.148 0.579 . . . . 0.0 111.582 170.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -60.05 -40.14 88.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.575 0.75 . . . . 0.0 112.586 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.44 92.46 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.87 0.868 . . . . 0.0 112.45 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.05 -41.96 99.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.913 0.885 . . . . 0.0 111.917 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.68 -48.21 72.83 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.783 0.833 . . . . 0.0 111.615 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.95 -36.06 78.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.071 0.948 . . . . 0.0 112.526 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.369 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.54 -35.9 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.544 -0.722 . . . . 0.0 111.626 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.6 95.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.633 0.773 . . . . 0.0 112.072 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.49 -47.25 86.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.982 0.913 . . . . 0.0 111.584 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -59.88 -45.09 93.61 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.675 0.79 . . . . 0.0 112.307 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.15 91.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.929 0.892 . . . . 0.0 112.956 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -69.03 -38.0 78.93 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.842 0.857 . . . . 0.0 112.344 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -71.19 -35.63 71.63 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.826 0.739 . . . . 0.0 112.229 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.45 -39.34 91.93 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.339 -0.851 . . . . 0.0 112.036 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 123.92 0.888 . . . . 0.0 112.818 173.586 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.57 -35.55 45.79 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.449 -0.782 . . . . 0.0 112.15 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.97 87.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.278 1.031 . . . . 0.0 111.337 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.93 -49.74 75.72 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.112 0.965 . . . . 0.0 111.563 169.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.73 -39.97 86.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.576 0.751 . . . . 0.0 112.538 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.84 82.87 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.12 -36.59 83.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.062 0.945 . . . . 0.0 112.266 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.92 -48.73 62.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.929 0.492 . . . . 0.0 111.626 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.94 -34.06 74.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.713 1.205 . . . . 0.0 113.028 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.115 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.84 -38.5 37.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.485 0.714 . . . . 0.0 111.57 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.43 96.42 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.852 0.861 . . . . 0.0 111.251 170.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -59.8 -47.75 84.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.859 0.864 . . . . 0.0 111.686 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.88 -44.26 91.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.401 0.68 . . . . 0.0 112.578 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.96 92.85 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.631 0.772 . . . . 0.0 112.756 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.97 -38.99 76.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.857 0.863 . . . . 0.0 112.425 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.51 -39.18 91.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.995 0.816 . . . . 0.0 111.858 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.6 -40.66 88.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 112.23 174.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 123.791 0.836 . . . . 0.0 113.044 175.365 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.81 -38.05 33.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.68 0.792 . . . . 0.0 111.648 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.06 98.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.721 0.808 . . . . 0.0 111.743 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -61.32 -48.42 81.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.393 1.077 . . . . 0.0 111.642 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.31 -45.51 87.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.242 0.617 . . . . 0.0 112.017 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.08 71.57 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.685 0.794 . . . . 0.0 112.755 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -69.7 -29.22 66.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.55 -51.87 25.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.48 0.582 . . . . 0.0 111.56 169.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.47 -36.68 78.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.606 0.762 . . . . 0.0 112.318 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.786 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.35 -37.19 52.85 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.452 -0.78 . . . . 0.0 111.583 174.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.81 72.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.475 0.71 . . . . 0.0 112.628 170.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -66.43 -48.07 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.907 1.283 . . . . 0.0 111.379 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.42 -40.92 83.78 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.589 -0.694 . . . . 0.0 112.204 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.21 98.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.425 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -61.53 -38.97 89.36 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.996 0.816 . . . . 0.0 112.867 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.64 -48.89 70.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.938 0.79 . . . . 0.0 111.621 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.08 -36.13 83.35 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.525 -0.734 . . . . 0.0 112.227 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.584 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.95 -39.16 35.25 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.486 -0.759 . . . . 0.0 112.067 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.88 92.5 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.45 0.7 . . . . 0.0 111.33 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.67 -49.79 76.1 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.562 0.745 . . . . 0.0 110.975 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.58 -42.97 89.24 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.729 0.812 . . . . 0.0 112.878 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.33 83.74 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.77 0.828 . . . . 0.0 112.651 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.48 -33.42 75.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.894 0.878 . . . . 0.0 112.462 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.67 -49.65 51.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.717 0.807 . . . . 0.0 111.046 172.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -58.98 -37.49 76.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.123 0.969 . . . . 0.0 112.719 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 175.522 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.3 -38.48 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.606 -0.684 . . . . 0.0 111.491 171.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.84 99.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.778 0.831 . . . . 0.0 111.591 170.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.53 -48.34 82.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.653 0.66 . . . . 0.0 111.452 172.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.52 -45.18 89.38 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.94 0.791 . . . . 0.0 112.463 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.83 86.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.734 0.814 . . . . 0.0 112.64 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.49 -40.82 96.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.234 1.014 . . . . 0.0 112.255 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.01 -42.81 84.34 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.866 1.266 . . . . 0.0 111.389 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.46 -44.14 88.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.615 0.766 . . . . 0.0 112.196 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 123.636 0.775 . . . . 0.0 112.954 177.726 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.0 -31.53 59.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.764 0.826 . . . . 0.0 113.04 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.92 -43.06 65.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.314 0.646 . . . . 0.0 111.196 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.43 -47.46 83.89 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.135 0.574 . . . . 0.0 111.646 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.16 -43.92 92.09 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.65 0.78 . . . . 0.0 112.325 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.98 99.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.397 0.679 . . . . 0.0 112.824 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.94 -38.45 76.18 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.05 -42.22 89.81 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.644 0.656 . . . . 0.0 111.518 175.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.41 -41.85 93.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.85 0.86 . . . . 0.0 112.243 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 123.696 0.799 . . . . 0.0 112.986 177.148 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.44 -39.33 74.42 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.172 -0.955 . . . . 0.0 111.73 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.46 -37.25 74.26 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.599 0.76 . . . . 0.0 112.166 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.64 -46.39 90.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 171.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -41.57 99.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 112.254 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.51 97.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -69.65 -33.5 72.7 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.61 -44.64 73.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.659 0.784 . . . . 0.0 111.342 173.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.15 -36.91 85.58 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.028 0.931 . . . . 0.0 112.285 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 174.532 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.92 19.88 66.6 Favored Glycine 0 N--CA 1.476 1.313 0 C-N-CA 124.169 0.89 . . . . 0.0 114.501 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -159.03 146.08 17.24 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.984 1.713 . . . . 0.0 111.251 -174.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.3 -29.41 0.78 Allowed Glycine 0 N--CA 1.472 1.071 0 C-N-CA 125.025 1.297 . . . . 0.0 114.139 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -142.48 145.46 33.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.823 2.049 . . . . 0.0 111.975 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -160.12 -137.8 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.893 2.077 . . . . 0.0 108.102 -172.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.75 35.97 24.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.597 1.959 . . . . 0.0 112.981 169.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.9 m -63.54 6.7 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 127.845 2.458 . . . . 0.0 116.285 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.35 -32.65 73.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.586 1.554 . . . . 0.0 111.116 169.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 tp -155.38 -31.24 0.1 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.734 2.414 . . . . 0.0 113.008 -173.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 76.5 112.53 0.07 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 128.646 2.778 . . . . 0.0 112.942 169.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.4 m 70.63 -20.06 0.21 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 127.713 2.405 . . . . 0.0 114.948 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 63.12 20.46 12.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.224 2.21 . . . . 0.0 113.706 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -79.79 -2.75 44.65 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.521 1.528 . . . . 0.0 114.08 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -155.45 119.75 4.64 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.453 2.301 . . . . 0.0 108.224 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -98.76 28.19 4.44 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.028 1.731 . . . . 0.0 111.671 -173.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 64.83 40.35 5.56 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.121 1.769 . . . . 0.0 110.689 -169.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -4.11 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -171.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 95.47 -3.49 65.97 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.509 1.528 . . . . 0.0 114.659 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.85 -21.62 60.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.425 1.113 . . . . 0.0 112.367 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -84.15 -21.93 31.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.702 1.601 . . . . 0.0 114.278 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -169.27 136.36 1.76 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.656 1.582 . . . . 0.0 112.318 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -155.87 -155.63 0.57 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.835 2.054 . . . . 0.0 109.409 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.24 136.81 15.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.39 1.476 . . . . 0.0 112.198 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -84.89 36.39 0.61 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.902 2.081 . . . . 0.0 113.332 -172.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -145.4 -48.86 0.23 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.53 1.132 . . . . 0.0 112.943 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.94 -37.59 69.98 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.835 0.743 . . . . 0.0 111.619 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.0 mmt -71.48 -18.08 62.32 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.333 -0.854 . . . . 0.0 112.543 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -87.08 -5.32 59.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.468 1.507 . . . . 0.0 113.414 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -128.47 -25.75 2.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.252 1.021 . . . . 0.0 113.728 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.0 t -67.92 -32.0 72.15 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.812 1.187 . . . . 0.0 112.733 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 4.6 p -89.95 -9.55 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.995 1.318 . . . . 0.0 112.934 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -69.66 -32.53 71.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.257 1.023 . . . . 0.0 112.143 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.8 t -169.43 134.06 1.42 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.473 2.309 . . . . 0.0 109.492 169.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.9 m 178.65 -47.91 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.96 2.504 . . . . 0.0 111.127 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.04 -40.49 87.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.56 -22.71 56.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.76 0.824 . . . . 0.0 112.563 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.91 -37.6 34.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.624 0.769 . . . . 0.0 111.647 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.21 96.43 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.863 0.865 . . . . 0.0 111.216 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -58.25 -50.67 72.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.363 0.665 . . . . 0.0 111.315 170.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.6 -42.58 88.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.469 0.708 . . . . 0.0 112.565 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.3 74.11 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.706 0.802 . . . . 0.0 112.448 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -63.66 -36.71 84.73 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.89 0.876 . . . . 0.0 112.61 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.46 -47.24 50.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.594 1.158 . . . . 0.0 111.211 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.22 -38.16 88.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.981 0.912 . . . . 0.0 112.373 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.42 65.95 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -87.06 -44.71 11.36 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.999 0.92 . . . . 0.0 110.604 172.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -61.71 -29.02 69.83 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.793 1.237 . . . . 0.0 112.757 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.19 -22.06 66.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.43 1.092 . . . . 0.0 113.845 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -87.88 -25.1 23.44 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.232 1.013 . . . . 0.0 112.405 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -88.21 -35.95 17.05 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.764 1.226 . . . . 0.0 112.549 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -57.64 -25.75 60.62 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.828 1.251 . . . . 0.0 113.202 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -75.38 -9.06 58.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.681 1.192 . . . . 0.0 114.135 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -96.24 -2.63 45.7 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.12 1.368 . . . . 0.0 112.804 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 68.74 -65.55 0.28 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.995 2.518 . . . . 0.0 113.14 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 22.3 mm 59.62 4.99 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 126.583 1.953 . . . . 0.0 112.653 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 56.96 41.36 27.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.827 2.051 . . . . 0.0 112.13 -169.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.5 p -47.77 -38.34 15.41 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 -171.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.83 -27.27 64.73 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.8 -8.97 59.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.303 1.041 . . . . 0.0 112.643 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.5 mt -83.43 -2.96 57.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.788 1.235 . . . . 0.0 112.433 172.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -122.16 -57.97 1.74 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.413 1.485 . . . . 0.0 111.132 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 42.77 61.97 1.91 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.045 1.738 . . . . 0.0 114.445 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -64.25 109.71 1.97 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.993 0.917 . . . . 0.0 111.856 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -163.02 153.66 16.59 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.945 1.698 . . . . 0.0 111.767 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -82.54 -9.56 59.36 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 -173.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -43.45 101.13 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.259 1.823 . . . . 0.0 115.256 -169.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 126.354 1.862 . . . . 0.0 113.787 178.756 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.62 -139.95 10.9 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.197 1.379 . . . . 0.0 112.058 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -152.1 159.8 43.57 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.384 1.874 . . . . 0.0 112.303 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.54 99.99 0.13 Allowed Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.165 1.364 . . . . 0.0 111.191 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.19 139.97 48.5 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -172.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.9 mt -134.54 -46.92 0.75 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.992 2.117 . . . . 0.0 110.105 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -143.36 13.68 1.79 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.905 1.682 . . . . 0.0 112.304 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.3 m -81.75 15.15 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -169.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.06 -30.25 70.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.685 1.594 . . . . 0.0 111.419 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.8 tp -163.27 -41.89 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.968 2.107 . . . . 0.0 112.541 -169.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.289 9.6 pt-20 56.48 -25.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 131.69 3.996 . . . . 0.0 118.745 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -149.79 -119.68 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 128.334 2.654 . . . . 0.0 109.853 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 52.99 45.11 29.51 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.243 2.217 . . . . 0.0 112.61 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.14 88.59 4.24 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.757 1.623 . . . . 0.0 109.552 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -165.89 121.17 1.25 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.294 1.838 . . . . 0.0 110.279 -173.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -86.81 -8.91 56.9 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.85 1.26 . . . . 0.0 111.89 171.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -93.62 -21.32 19.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.238 1.415 . . . . 0.0 112.336 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . 0.273 0.2 OUTLIER 54.55 10.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 128.314 2.646 . . . . 0.0 116.8 170.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.94 11.58 85.26 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.296 1.426 . . . . 0.0 113.182 -171.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.9 t70 69.27 -22.67 0.15 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 129.482 3.113 . . . . 0.0 115.597 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.3 mt -138.62 -88.5 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.01 1.724 . . . . 0.0 110.53 -174.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -161.1 123.26 3.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.316 1.447 . . . . 0.0 110.487 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -151.11 25.46 0.72 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.662 1.185 . . . . 0.0 113.83 -169.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.41 168.14 25.76 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.133 2.173 . . . . 0.0 109.587 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -143.34 10.2 1.67 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -169.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -72.5 -11.2 60.57 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.461 -1.4 . . . . 0.0 114.397 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -37.76 13.78 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.677 0.791 . . . . 0.0 110.803 169.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 57.8 ttm -61.15 -29.6 69.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.076 0.95 . . . . 0.0 111.976 169.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -63.87 -15.8 59.85 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.735 2.014 . . . . 0.0 113.369 171.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -123.13 -14.46 7.53 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.959 1.304 . . . . 0.0 114.13 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 94.2 p -71.23 -18.0 62.48 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.405 1.457 . . . . 0.0 113.454 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.5 m -83.22 30.01 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 127.164 2.185 . . . . 0.0 112.22 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -60.75 -36.06 77.96 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.804 1.242 . . . . 0.0 114.008 -169.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.6 t -65.74 -30.64 71.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.749 0.82 . . . . 0.0 112.539 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.7 m -78.09 -36.63 47.87 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.568 0.747 . . . . 0.0 111.681 174.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.96 -42.98 84.28 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.882 0.873 . . . . 0.0 111.922 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.46 -35.79 75.96 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.032 0.933 . . . . 0.0 112.614 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.42 -40.8 66.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.913 0.779 . . . . 0.0 112.196 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.39 92.45 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.448 0.699 . . . . 0.0 111.664 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.55 -53.06 62.47 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.726 0.81 . . . . 0.0 111.147 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -57.11 -48.07 79.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.684 0.794 . . . . 0.0 112.215 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.57 -51.0 67.25 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.545 0.738 . . . . 0.0 112.289 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.52 -40.48 95.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.713 0.805 . . . . 0.0 112.439 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -70.73 -47.14 61.3 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.986 0.914 . . . . 0.0 111.331 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.17 -41.38 99.22 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.436 -0.79 . . . . 0.0 112.006 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.74 -18.9 63.54 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.7 -44.59 11.7 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.908 0.883 . . . . 0.0 110.03 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -66.41 -31.31 71.99 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.163 0.985 . . . . 0.0 112.755 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.0 -23.96 65.07 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.378 1.071 . . . . 0.0 113.505 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -87.58 -37.42 16.85 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.781 0.832 . . . . 0.0 111.412 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -35.06 79.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.12 1.368 . . . . 0.0 112.267 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -76.46 -23.7 53.87 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 171.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.36 -22.68 17.58 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -174.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -153.16 148.26 26.72 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.441 1.097 . . . . 0.0 112.097 -169.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -168.28 -35.27 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.181 1.792 . . . . 0.0 113.255 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 17.8 tt -66.59 -23.35 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 120.752 -1.217 . . . . 0.0 113.261 -172.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -62.59 -19.63 63.91 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.4 m -84.5 -35.44 22.93 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.258 1.423 . . . . 0.0 110.757 174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.75 -30.12 65.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.015 0.926 . . . . 0.0 111.974 172.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.6 tp -70.59 -14.22 62.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.11 1.764 . . . . 0.0 112.516 169.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 12.5 tp 65.98 23.91 11.15 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.003 2.121 . . . . 0.0 112.633 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.82 113.06 2.44 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.724 1.21 . . . . 0.0 110.614 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -89.79 18.38 5.67 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.038 1.735 . . . . 0.0 113.305 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -126.29 -178.59 4.38 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.459 1.904 . . . . 0.0 112.888 -169.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -137.33 -172.59 3.25 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.817 1.647 . . . . 0.0 112.443 -170.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -71.59 -2.6 17.62 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -174.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.5 t60 60.72 68.52 0.74 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.519 1.928 . . . . 0.0 112.68 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.79 2.036 . . . . 0.0 113.657 -172.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.256 0.075 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.55 120.67 0.43 Allowed Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.887 1.708 . . . . 0.0 112.46 -176.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -159.98 78.03 0.67 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.767 1.227 . . . . 0.0 111.316 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.41 -8.77 31.46 Favored Glycine 0 N--CA 1.476 1.345 0 C-N-CA 125.868 1.699 . . . . 0.0 114.42 -174.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -166.43 154.66 10.37 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 129.553 3.141 . . . . 0.0 109.548 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -128.54 2.61 5.57 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.462 1.505 . . . . 0.0 114.195 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -93.6 -36.24 12.48 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.012 1.325 . . . . 0.0 111.599 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.1 p -66.08 -5.09 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.64 1.576 . . . . 0.0 113.354 173.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -58.44 -36.7 74.05 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.077 2.151 . . . . 0.0 113.222 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.2 mt -152.95 -38.25 0.1 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 127.557 2.343 . . . . 0.0 112.389 -170.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 56.14 69.81 0.7 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.301 2.24 . . . . 0.0 112.416 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.3 t 179.29 158.61 0.62 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 129.299 3.039 . . . . 0.0 108.084 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -70.18 100.31 1.65 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.316 1.446 . . . . 0.0 109.572 172.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -48.3 97.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.125 2.57 . . . . 0.0 113.477 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -153.13 153.36 32.63 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.911 1.285 . . . . 0.0 112.76 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -156.9 46.03 0.41 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.401 1.88 . . . . 0.0 110.588 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 68.14 26.67 7.07 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.284 1.834 . . . . 0.0 112.289 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.0 pt -82.23 -24.48 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.352 1.461 . . . . 0.0 114.006 -172.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 76.91 0.08 68.01 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.144 1.354 . . . . 0.0 114.942 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.4 -30.88 70.83 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.942 1.697 . . . . 0.0 113.519 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.14 -8.02 53.92 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 113.015 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -128.08 8.1 6.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.511 1.924 . . . . 0.0 112.616 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.64 -140.06 0.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.454 1.901 . . . . 0.0 110.707 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.92 128.44 15.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.731 1.613 . . . . 0.0 110.529 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -163.49 -13.13 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -170.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.23 -27.87 69.35 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -169.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -90.33 -42.89 10.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 169.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 89.8 mtp -71.77 -14.17 61.92 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.452 1.101 . . . . 0.0 113.665 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -100.18 -19.3 16.49 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.438 1.495 . . . . 0.0 113.336 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -156.67 -1.54 0.12 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 117.858 2.54 . . . . 0.0 117.858 -169.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.7 p -136.59 -17.77 1.47 Allowed 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 121.695 2.043 . . . . 0.0 116.289 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 2.8 p -124.89 5.32 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.654 1.182 . . . . 0.0 112.558 169.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -60.59 -42.62 97.09 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.218 1.007 . . . . 0.0 112.402 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 27.3 m -75.47 -47.24 28.05 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.011 1.325 . . . . 0.0 110.854 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.9 m -65.8 -35.29 80.27 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.423 0.689 . . . . 0.0 112.858 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.92 -43.27 75.51 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.338 1.055 . . . . 0.0 111.145 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.47 -37.25 77.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.947 0.899 . . . . 0.0 112.336 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.95 -40.4 72.02 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.526 -0.734 . . . . 0.0 112.393 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.06 89.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.313 0.645 . . . . 0.0 111.738 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.31 -45.82 92.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.362 0.665 . . . . 0.0 111.567 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.55 -44.42 97.07 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 112.235 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.36 90.36 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -68.49 -38.75 81.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.664 0.785 . . . . 0.0 112.227 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -40.18 85.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -66.16 -36.83 84.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.738 0.815 . . . . 0.0 112.419 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.63 72.96 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 173.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -81.37 -30.14 33.8 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.626 0.77 . . . . 0.0 112.512 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -67.1 -37.82 84.61 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.385 -0.822 . . . . 0.0 111.299 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.74 69.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.096 0.958 . . . . 0.0 113.376 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -71.97 -28.44 63.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.507 0.723 . . . . 0.0 111.465 174.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -79.69 -31.81 41.32 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.36 -0.837 . . . . 0.0 111.73 172.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 44.3 mmm-85 -64.37 -38.21 90.25 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.019 0.827 . . . . 0.0 111.262 169.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -66.7 -13.52 61.39 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.56 -5.22 59.2 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.181 1.393 . . . . 0.0 112.862 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -77.47 44.86 0.45 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.086 1.354 . . . . 0.0 112.913 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 13.8 mt -78.34 62.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.831 1.652 . . . . 0.0 108.678 173.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -162.7 -36.74 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.133 2.173 . . . . 0.0 111.857 -169.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.1 p -81.39 -33.51 32.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.256 1.023 . . . . 0.0 112.208 173.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.81 -17.98 45.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.356 1.062 . . . . 0.0 113.006 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 19.7 tp -97.14 49.06 1.05 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.189 1.796 . . . . 0.0 110.236 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 65.2 tp -158.8 132.58 7.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.692 1.997 . . . . 0.0 109.294 -170.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.92 36.15 0.69 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.389 1.876 . . . . 0.0 110.848 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -135.98 10.47 3.33 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.147 1.779 . . . . 0.0 113.232 -169.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -61.9 -28.2 69.35 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 -169.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -139.35 -0.52 1.79 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.397 1.479 . . . . 0.0 114.256 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -81.73 -9.34 59.66 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.956 2.102 . . . . 0.0 114.489 -169.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . 0.256 34.6 p80 53.47 30.88 11.23 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 127.367 2.267 . . . . 0.0 116.666 170.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.687 1.595 . . . . 0.0 113.56 173.602 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 62.3 ttp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.78 131.98 5.08 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 125.06 1.314 . . . . 0.0 111.6 -174.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -142.87 -15.9 0.7 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.92 -25.56 37.44 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.441 1.02 . . . . 0.0 114.382 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.8 t70 69.98 134.47 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 129.271 3.028 . . . . 0.0 113.882 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.7 mt -87.93 -10.59 50.1 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -169.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -89.97 -10.3 45.55 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.218 1.007 . . . . 0.0 112.99 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.4 m -113.64 49.89 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 127.13 2.172 . . . . 0.0 110.517 173.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -107.02 24.21 13.17 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.208 2.203 . . . . 0.0 108.914 171.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp 72.11 19.44 4.56 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.601 2.36 . . . . 0.0 113.168 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -157.18 132.94 9.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.624 1.569 . . . . 0.0 109.47 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.2 m -139.49 22.4 2.53 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.112 1.365 . . . . 0.0 111.857 -172.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -161.82 131.41 4.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.919 1.688 . . . . 0.0 111.239 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -167.71 139.5 3.07 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.951 2.5 . . . . 0.0 109.943 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.265 36.6 mt-10 -115.2 26.65 9.95 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -173.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.15 5.22 10.61 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.2 167.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.04 -13.2 61.17 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.896 1.278 . . . . 0.0 111.957 174.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -53.11 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.848 1.659 . . . . 0.0 109.885 -178.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.55 35.0 26.95 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.288 0.947 . . . . 0.0 112.951 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.5 -24.68 61.11 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.661 1.584 . . . . 0.0 115.102 -170.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.3 -17.28 64.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.842 1.657 . . . . 0.0 112.728 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -126.02 14.65 7.92 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.156 1.782 . . . . 0.0 112.982 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.34 -9.3 59.77 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.793 1.237 . . . . 0.0 113.893 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -160.29 156.53 26.53 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.781 2.032 . . . . 0.0 110.991 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -138.42 -1.59 1.88 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -169.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.95 -19.76 61.85 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.642 -1.286 . . . . 0.0 113.58 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.96 -22.97 44.87 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.934 0.894 . . . . 0.0 112.56 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 12.3 tpt -73.92 -38.93 64.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.101 -1.0 . . . . 0.0 110.863 174.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -55.41 -30.85 61.21 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.945 1.298 . . . . 0.0 112.796 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -87.5 -36.18 17.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.84 1.256 . . . . 0.0 111.283 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.4 m -73.98 -32.85 63.62 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.65 -14.8 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 120.922 -1.111 . . . . 0.0 113.057 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -82.8 -10.83 58.68 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.684 1.194 . . . . 0.0 112.949 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 41.6 p -129.03 -43.6 1.33 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.322 1.449 . . . . 0.0 113.023 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 89.7 p -66.62 -22.8 66.11 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.7 tp -67.29 -28.45 68.02 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.321 1.048 . . . . 0.0 112.489 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.43 -32.48 42.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.988 0.915 . . . . 0.0 111.992 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.7 -38.79 67.4 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.602 -0.686 . . . . 0.0 111.569 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.5 91.41 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.61 0.764 . . . . 0.0 112.17 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.6 -48.13 78.61 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.08 0.952 . . . . 0.0 111.68 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.39 -45.77 84.15 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.77 0.828 . . . . 0.0 112.003 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.31 75.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.513 0.725 . . . . 0.0 112.727 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -72.67 -29.63 63.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.32 -36.24 58.38 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.149 0.886 . . . . 0.0 111.909 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.4 -39.3 81.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.371 0.987 . . . . 0.0 112.239 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.28 -24.77 67.78 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.47 -43.76 12.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.166 0.987 . . . . 0.0 111.328 172.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -62.92 -33.49 75.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.147 0.979 . . . . 0.0 112.38 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.45 -26.91 68.18 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -87.85 -28.32 21.68 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.925 1.29 . . . . 0.0 112.367 175.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -88.75 -31.6 18.33 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.649 1.58 . . . . 0.0 112.895 -172.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -67.6 -7.71 28.54 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.469 1.508 . . . . 0.0 113.998 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -69.88 -14.12 62.59 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -73.01 133.0 44.1 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.95 0.9 . . . . 0.0 110.701 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -91.98 3.89 54.22 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -169.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.08 -5.18 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -108.34 -1.38 20.06 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.231 2.212 . . . . 0.0 113.75 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.3 t -62.84 -33.41 75.2 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -68.53 -23.92 64.59 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.721 0.808 . . . . 0.0 112.677 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.74 -0.16 54.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.86 1.264 . . . . 0.0 112.315 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 88.7 mt -130.37 16.9 5.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.568 1.947 . . . . 0.0 112.47 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -116.83 84.05 2.08 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.528 1.531 . . . . 0.0 108.601 -175.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -136.01 15.87 3.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.723 1.609 . . . . 0.0 112.28 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -157.16 -179.3 8.07 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.875 2.07 . . . . 0.0 112.558 -169.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -151.64 172.51 15.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.709 1.603 . . . . 0.0 112.926 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -84.75 14.0 5.19 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.369 1.467 . . . . 0.0 114.599 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 71.92 13.51 6.0 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.222 2.209 . . . . 0.0 114.779 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 60.0 t60 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 128.647 2.779 . . . . 0.0 113.446 176.514 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 176.15 -139.73 4.73 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.791 1.186 . . . . 0.0 112.419 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -178.34 -49.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.785 2.434 . . . . 0.0 111.176 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -116.47 38.31 3.08 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 126.162 1.839 . . . . 0.0 113.312 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.17 123.76 18.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.321 1.848 . . . . 0.0 112.278 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.2 mt -145.26 -13.67 0.52 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.729 1.612 . . . . 0.0 114.274 -173.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 62.47 25.33 15.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.19 1.796 . . . . 0.0 113.97 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 m -70.23 97.08 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.827 2.051 . . . . 0.0 111.617 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 69.77 34.72 2.55 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.698 2.399 . . . . 0.0 109.472 -172.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.74 13.68 8.91 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.769 2.427 . . . . 0.0 112.37 -169.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 68.7 -176.62 0.21 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.313 2.245 . . . . 0.0 113.981 174.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.0 m -142.08 128.33 19.86 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.135 2.174 . . . . 0.0 107.515 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -140.1 128.1 22.17 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.19 2.196 . . . . 0.0 108.489 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 86.26 150.98 0.07 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 130.043 3.337 . . . . 0.0 111.642 -171.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' A' ' 116' ' ' GLU . 13.2 pt-20 -161.46 147.44 14.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.598 1.959 . . . . 0.0 110.763 -176.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.8 t70 63.85 -27.44 0.08 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.937 2.495 . . . . 0.0 113.62 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 114' ' ' GLU . 22.6 tt0 -111.39 36.36 3.25 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 128.201 2.601 . . . . 0.0 110.261 172.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 117' ' ' ILE . 5.6 tp -138.97 149.33 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 127.264 2.225 . . . . 0.0 110.584 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -75.37 56.42 2.86 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.357 1.932 . . . . 0.0 112.126 170.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -47.12 -32.15 4.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.917 2.087 . . . . 0.0 114.759 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.5 mt -131.23 108.73 9.9 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.835 1.654 . . . . 0.0 108.28 169.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -85.42 120.0 26.4 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.418 0.687 . . . . 0.0 112.237 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -151.94 7.66 0.47 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.249 1.42 . . . . 0.0 113.778 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -166.52 162.67 16.88 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.396 1.878 . . . . 0.0 111.458 -173.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -141.03 -1.56 1.37 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.303 1.441 . . . . 0.0 113.607 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.77 -22.38 62.39 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.127 -0.983 . . . . 0.0 112.997 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.32 -41.57 76.54 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.004 0.922 . . . . 0.0 111.256 172.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 58.8 mtt -63.37 -32.88 74.42 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.879 0.872 . . . . 0.0 111.31 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -69.06 -11.44 60.79 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.794 1.638 . . . . 0.0 113.466 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -83.43 -54.53 4.9 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.82 1.191 . . . . 0.0 110.315 173.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.4 m -65.09 -29.19 70.05 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -169.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.54 -14.73 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -101.35 -18.95 15.82 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.533 1.133 . . . . 0.0 113.475 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 37.0 m -56.37 -53.88 52.18 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.006 1.322 . . . . 0.0 111.791 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.4 m -80.4 -30.2 37.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.9 tp -69.52 -41.46 75.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.895 0.878 . . . . 0.0 112.187 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.46 -30.33 64.47 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.922 0.889 . . . . 0.0 112.004 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.62 -40.1 66.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.753 0.706 . . . . 0.0 112.149 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.34 95.02 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.696 0.799 . . . . 0.0 111.778 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.22 -47.07 87.78 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.985 0.914 . . . . 0.0 111.665 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.04 -46.43 88.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.829 0.852 . . . . 0.0 112.003 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.89 96.17 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.488 0.715 . . . . 0.0 112.56 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -62.55 -44.37 96.5 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.123 0.969 . . . . 0.0 112.099 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.91 -46.49 71.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.522 0.729 . . . . 0.0 111.519 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.23 -41.17 92.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.402 1.081 . . . . 0.0 112.581 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.26 76.18 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.8 -28.94 22.66 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -83.3 -21.05 33.34 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.861 1.264 . . . . 0.0 113.767 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.68 87.85 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.418 -1.426 . . . . 0.0 112.756 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.15 -19.22 61.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.293 1.037 . . . . 0.0 113.131 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -81.38 -38.71 26.16 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.934 0.788 . . . . 0.0 111.431 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -74.86 -23.47 58.42 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.224 1.41 . . . . 0.0 113.427 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -55.9 -21.24 19.29 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.08 5.75 49.07 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 67.63 24.91 8.37 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.65 1.98 . . . . 0.0 113.622 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 9.1 tp -61.73 132.23 27.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 O-C-N 120.942 -1.099 . . . . 0.0 110.323 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 43.1 t30 70.66 2.28 4.06 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.616 1.966 . . . . 0.0 115.095 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 97.4 m -61.75 -25.0 67.18 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.768 -1.208 . . . . 0.0 112.48 173.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.13 -17.73 54.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.221 1.409 . . . . 0.0 114.173 174.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 26.2 tp -70.82 -6.52 38.54 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.936 1.294 . . . . 0.0 113.446 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 51.8 tp -71.56 88.72 0.95 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.318 1.447 . . . . 0.0 110.754 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -164.72 127.39 2.3 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.429 2.291 . . . . 0.0 108.464 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -144.31 32.39 1.21 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.771 1.628 . . . . 0.0 111.931 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -159.08 161.42 36.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.98 2.112 . . . . 0.0 112.239 -169.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 -17.01 1.91 Allowed 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -173.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 52.59 36.04 19.61 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.177 1.791 . . . . 0.0 114.052 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -78.44 83.38 4.66 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.45 1.1 . . . . 0.0 111.902 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 28.0 p80 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 127.397 2.279 . . . . 0.0 112.795 -174.884 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.07 152.56 29.49 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.659 1.123 . . . . 0.0 111.7 -171.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.26 -35.07 0.47 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.18 1.392 . . . . 0.0 113.233 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.01 -25.48 61.99 Favored Glycine 0 N--CA 1.473 1.165 0 C-N-CA 124.142 0.877 . . . . 0.0 113.45 171.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -143.91 134.62 25.04 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.186 2.594 . . . . 0.0 109.062 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.2 mt -122.15 -30.13 4.08 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -73.05 -25.16 60.82 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.453 -0.779 . . . . 0.0 112.685 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.0 m -77.56 3.83 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.089 1.756 . . . . 0.0 113.779 -177.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.81 -45.04 94.49 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.234 1.413 . . . . 0.0 112.031 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.6 mt -139.46 -22.46 0.9 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.589 2.356 . . . . 0.0 113.314 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 70.1 115.12 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.688 2.395 . . . . 0.0 111.162 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.6 p -147.27 163.74 35.42 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.075 1.75 . . . . 0.0 110.387 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -144.29 124.16 13.47 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 130.123 3.369 . . . . 0.0 107.073 173.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -139.75 167.01 23.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.9 2.08 . . . . 0.0 110.67 -169.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -158.18 147.21 19.27 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 128.093 2.557 . . . . 0.0 110.037 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.09 40.17 0.68 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.564 1.146 . . . . 0.0 110.79 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.78 27.06 16.85 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.348 2.259 . . . . 0.0 112.448 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.5 pt -74.98 -16.82 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 90.25 -17.17 55.21 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 126.064 1.793 . . . . 0.0 114.67 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.0 t70 63.76 -0.43 0.77 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.371 2.268 . . . . 0.0 113.615 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.5 mt -155.55 164.41 38.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.665 3.186 . . . . 0.0 109.17 -171.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -63.14 135.26 57.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.962 0.905 . . . . 0.0 112.643 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -161.81 -159.9 0.65 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.857 2.063 . . . . 0.0 109.58 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -155.43 160.15 40.41 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.962 2.105 . . . . 0.0 111.255 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -111.59 6.9 20.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.798 1.239 . . . . 0.0 113.869 -170.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -150.15 -49.99 0.13 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.034 1.333 . . . . 0.0 112.008 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -66.79 -41.97 86.78 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.178 0.591 . . . . 0.0 111.879 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 68.7 mtt -83.95 -9.66 58.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -80.92 -36.06 31.59 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.246 1.019 . . . . 0.0 112.111 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -145.5 -38.18 0.26 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.7 m -68.16 -40.24 82.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.69 1.587 . . . . 0.0 113.047 -172.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.6 p -171.34 103.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.194 2.198 . . . . 0.0 110.251 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -61.45 -42.24 98.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.166 0.986 . . . . 0.0 112.178 174.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 8.9 t 158.59 94.4 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 131.191 3.796 . . . . 0.0 107.607 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.9 p -172.69 -52.84 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -169.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.4 mt -89.06 -2.52 58.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -169.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -132.59 -71.17 0.54 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.841 0.746 . . . . 0.0 111.82 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -36.75 84.31 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.283 0.947 . . . . 0.0 112.839 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -82.15 -37.3 26.4 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.282 0.633 . . . . 0.0 111.718 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.03 85.67 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.525 0.73 . . . . 0.0 110.709 169.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.81 -43.44 98.79 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.557 1.143 . . . . 0.0 112.616 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.07 95.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.01 0.823 . . . . 0.0 112.491 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -64.9 -39.69 93.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.108 0.963 . . . . 0.0 112.41 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -65.7 -49.45 68.47 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.162 0.985 . . . . 0.0 111.392 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.55 -38.82 87.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.653 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.1 -26.87 69.03 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -86.65 -50.0 7.11 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.96 0.904 . . . . 0.0 111.367 172.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -68.85 -43.05 76.22 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.904 0.882 . . . . 0.0 112.844 -170.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.0 -17.51 61.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -85.01 -35.02 22.22 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.923 0.889 . . . . 0.0 110.991 170.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -80.84 -35.52 32.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.826 1.25 . . . . 0.0 112.664 -172.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -82.54 -18.46 41.38 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.62 -23.41 17.64 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -162.56 134.63 5.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.839 0.856 . . . . 0.0 111.835 -174.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.97 99.81 12.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.357 1.063 . . . . 0.0 109.031 170.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 48.1 pt -80.77 18.43 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.276 1.43 . . . . 0.0 112.938 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 63.27 31.79 15.2 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.724 2.009 . . . . 0.0 111.834 -169.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.8 t -53.14 -35.14 59.39 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.753 1.621 . . . . 0.0 114.799 -169.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.79 -17.76 62.15 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 67.6 mt -101.95 -0.61 33.55 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.982 1.713 . . . . 0.0 112.835 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 81.0 mt -80.5 90.57 5.68 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.834 1.254 . . . . 0.0 109.111 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -139.65 106.07 5.3 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.678 1.591 . . . . 0.0 108.776 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -140.15 7.85 2.24 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.192 1.397 . . . . 0.0 112.951 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -163.83 164.49 23.52 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.297 2.639 . . . . 0.0 110.311 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -147.28 147.05 29.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.213 1.005 . . . . 0.0 113.543 -176.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -82.68 45.74 1.01 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.675 1.99 . . . . 0.0 113.484 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -71.94 -9.2 58.02 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 127.533 2.333 . . . . 0.0 111.572 -179.244 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 168.14 145.24 4.47 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.225 1.393 . . . . 0.0 112.047 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -156.22 149.29 24.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.462 1.905 . . . . 0.0 111.368 -177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.98 21.51 35.76 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.786 1.184 . . . . 0.0 114.535 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.65 139.29 57.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.305 1.442 . . . . 0.0 112.228 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.0 39.67 13.06 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.432 1.493 . . . . 0.0 111.873 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -150.15 -34.89 0.17 Allowed 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -175.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.3 m -116.56 107.28 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.233 1.413 . . . . 0.0 110.07 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -166.91 -55.47 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 127.691 2.396 . . . . 0.0 109.198 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 tp -161.46 -5.05 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.057 1.743 . . . . 0.0 114.635 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -84.7 82.95 8.2 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.1 -1.0 . . . . 0.0 111.264 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.1 p -152.75 127.61 9.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 127.848 2.459 . . . . 0.0 108.434 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 63.0 ttt-85 -141.13 -121.55 0.11 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.846 1.259 . . . . 0.0 111.237 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . 0.252 5.9 ptt180 73.97 159.76 0.22 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 128.137 2.575 . . . . 0.0 111.292 -169.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -44.99 131.36 7.32 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.401 1.881 . . . . 0.0 113.784 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -100.32 27.93 5.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.933 1.693 . . . . 0.0 111.25 173.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 73.66 18.6 3.44 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.905 2.082 . . . . 0.0 111.914 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.3 pt -82.32 -19.94 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.736 1.614 . . . . 0.0 113.778 -173.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.91 -11.48 47.6 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.857 1.694 . . . . 0.0 114.838 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t70 55.54 38.1 29.77 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.495 1.918 . . . . 0.0 112.746 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 tt 67.86 82.36 0.18 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.545 2.338 . . . . 0.0 110.694 -170.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -66.26 144.5 56.56 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.598 1.159 . . . . 0.0 113.481 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.6 85.4 7.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.776 1.231 . . . . 0.0 111.665 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.87 114.38 21.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.589 1.156 . . . . 0.0 111.618 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -157.02 35.69 0.29 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.582 1.953 . . . . 0.0 110.93 174.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.63 -24.78 65.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.22 1.408 . . . . 0.0 114.547 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.54 -40.6 80.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.549 0.74 . . . . 0.0 111.17 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 35.9 mmt -73.65 -27.3 61.19 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.674 0.79 . . . . 0.0 111.97 174.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 -73.52 -12.07 60.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 169.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -107.51 -34.9 6.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.763 1.625 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 97.3 p -66.78 -18.2 65.26 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.555 -1.34 . . . . 0.0 113.95 -176.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 35.7 m -84.96 -5.01 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.8 1.64 . . . . 0.0 113.577 173.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -98.75 -28.15 13.63 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.401 1.081 . . . . 0.0 113.158 -174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 32.0 p -70.15 -51.6 30.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.848 1.259 . . . . 0.0 112.275 -169.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 55.6 p -70.58 -28.29 64.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.757 0.823 . . . . 0.0 112.893 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.01 -43.7 70.84 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.573 1.149 . . . . 0.0 110.538 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.98 -33.89 72.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.928 0.891 . . . . 0.0 112.279 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.44 -39.93 74.05 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.02 90.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.503 0.721 . . . . 0.0 111.727 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.57 -46.01 90.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.777 0.831 . . . . 0.0 111.596 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -61.52 -43.21 99.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.045 0.938 . . . . 0.0 112.31 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.21 90.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.599 0.76 . . . . 0.0 112.735 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -68.52 -35.96 78.19 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.519 0.728 . . . . 0.0 112.623 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.91 -43.4 79.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 111.259 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.98 -41.37 97.55 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.353 -0.842 . . . . 0.0 112.07 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.08 -25.74 68.24 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -86.51 -38.68 16.99 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.281 1.432 . . . . 0.0 112.026 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -83.64 -21.03 32.6 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.678 1.591 . . . . 0.0 114.313 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.28 -31.1 68.8 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 120.551 1.523 . . . . 0.0 114.098 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -73.87 -21.17 60.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.18 0.992 . . . . 0.0 112.574 172.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -88.48 -29.3 20.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.276 1.43 . . . . 0.0 111.536 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -62.61 -28.04 69.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.937 1.295 . . . . 0.0 112.663 169.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.41 -22.72 61.83 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.402 1.081 . . . . 0.0 113.913 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 69.13 168.87 0.29 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.027 2.531 . . . . 0.0 114.833 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -79.34 -3.9 48.38 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.706 2.002 . . . . 0.0 114.666 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 22.9 pt -60.28 98.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 126.647 1.979 . . . . 0.0 113.219 -169.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 48.3 t30 64.21 -1.98 0.65 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 127.257 2.223 . . . . 0.0 114.633 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 28.9 p -84.68 -61.74 1.71 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.999 1.719 . . . . 0.0 110.498 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -84.67 -27.21 27.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.078 1.351 . . . . 0.0 112.479 172.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.87 0.8 14.39 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 58.6 tp -150.63 114.49 5.01 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.715 1.206 . . . . 0.0 110.926 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.16 3.12 3.65 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.289 1.435 . . . . 0.0 112.962 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 68.69 125.88 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.98 2.912 . . . . 0.0 115.576 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -147.24 147.54 30.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.774 2.03 . . . . 0.0 110.731 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.34 151.47 34.92 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.866 0.866 . . . . 0.0 113.012 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -103.82 30.31 5.2 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.688 1.595 . . . . 0.0 112.237 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -71.04 1.99 5.02 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.838 1.655 . . . . 0.0 115.436 -174.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 65.3 t60 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.778 2.031 . . . . 0.0 111.702 -175.198 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.26 20.5 35.17 Favored Glycine 0 N--CA 1.477 1.373 0 C-N-CA 125.497 1.522 . . . . 0.0 115.118 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -153.03 152.32 31.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.474 1.51 . . . . 0.0 111.854 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.32 -34.73 3.04 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 125.511 1.529 . . . . 0.0 114.451 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.38 141.9 45.09 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.542 1.537 . . . . 0.0 112.735 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.6 14.69 4.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.925 1.69 . . . . 0.0 112.679 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -76.82 57.3 1.28 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.269 1.828 . . . . 0.0 112.431 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.76 112.53 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 126.412 1.885 . . . . 0.0 109.627 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 177.9 -56.17 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 128.715 2.806 . . . . 0.0 108.195 -173.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.37 -9.94 2.88 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.997 2.119 . . . . 0.0 112.86 171.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 61.95 -122.48 0.75 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.087 1.355 . . . . 0.0 110.49 170.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.1 m -153.03 114.58 4.25 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 127.647 2.379 . . . . 0.0 105.581 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -150.98 144.37 24.87 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.891 2.076 . . . . 0.0 109.245 -169.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -63.84 -41.75 97.74 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.624 1.57 . . . . 0.0 112.818 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.67 159.8 19.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.619 1.568 . . . . 0.0 113.57 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -138.78 26.86 2.48 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.139 2.176 . . . . 0.0 109.995 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 65.64 40.78 4.31 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.463 2.305 . . . . 0.0 111.475 -174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.7 tp -139.76 -39.82 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 70.26 32.32 68.74 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.741 1.162 . . . . 0.0 113.758 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -71.52 89.54 0.96 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.875 1.67 . . . . 0.0 112.605 -173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.7 tp -145.38 -56.87 0.32 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.767 2.027 . . . . 0.0 109.744 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -133.47 13.37 4.14 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.9 1.68 . . . . 0.0 113.212 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.6 95.68 5.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.899 1.679 . . . . 0.0 110.866 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.94 152.41 38.61 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.946 1.698 . . . . 0.0 112.093 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -65.21 -14.31 60.34 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.2 -26.89 68.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.968 0.907 . . . . 0.0 112.395 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.34 -40.23 74.22 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.537 0.735 . . . . 0.0 110.971 173.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 64.4 mtt -66.13 -37.59 86.08 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.387 -0.821 . . . . 0.0 111.125 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -64.03 -27.5 69.15 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.077 1.351 . . . . 0.0 113.375 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -99.05 -17.13 18.4 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.8 m -73.77 -16.8 61.16 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.626 -1.296 . . . . 0.0 113.558 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 32.3 m -90.65 6.82 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 125.736 1.615 . . . . 0.0 113.536 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -12.34 11.05 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -169.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.8 t -90.77 -23.1 20.75 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.303 1.441 . . . . 0.0 113.462 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 61.6 p -110.33 -33.35 6.66 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -169.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.85 -24.97 64.42 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.518 1.053 . . . . 0.0 113.265 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -84.27 -21.01 31.24 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.13 0.972 . . . . 0.0 113.021 173.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.44 -38.51 29.94 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.629 0.772 . . . . 0.0 111.147 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.94 98.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.503 0.721 . . . . 0.0 111.379 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.42 -45.1 94.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.639 0.775 . . . . 0.0 111.829 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.89 -42.79 94.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.569 0.747 . . . . 0.0 112.386 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.39 86.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -68.5 -33.4 74.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.51 0.724 . . . . 0.0 112.749 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.36 -43.26 67.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.03 0.932 . . . . 0.0 111.393 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.86 -37.74 88.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.856 0.862 . . . . 0.0 112.418 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.66 -27.42 69.22 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -86.6 -43.05 12.98 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.343 1.057 . . . . 0.0 112.156 171.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.32 -24.86 64.88 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.983 0.913 . . . . 0.0 112.286 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.09 -23.56 55.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.83 1.252 . . . . 0.0 113.811 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -87.57 -22.41 24.81 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.922 0.889 . . . . 0.0 112.266 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -88.78 -34.67 17.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.938 1.295 . . . . 0.0 112.245 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -76.04 -7.32 54.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.574 1.55 . . . . 0.0 114.434 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.46 -9.91 51.91 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -78.38 114.63 17.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.214 1.006 . . . . 0.0 110.341 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -150.63 17.54 0.8 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.544 1.138 . . . . 0.0 113.914 -173.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 20.3 tt -58.38 -24.29 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.921 -1.112 . . . . 0.0 113.303 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -56.75 -21.48 28.62 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.7 1.2 . . . . 0.0 113.586 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 82.6 p -68.84 -24.92 64.42 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.775 1.23 . . . . 0.0 113.523 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.45 -18.01 37.32 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.381 1.072 . . . . 0.0 112.956 172.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 10.8 mp -104.39 -0.1 28.44 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.986 1.715 . . . . 0.0 113.406 -172.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -155.14 127.49 7.81 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.619 1.567 . . . . 0.0 109.505 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -150.46 121.02 7.44 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.378 1.871 . . . . 0.0 108.221 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.32 10.73 2.3 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -173.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -79.6 38.76 0.39 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.534 1.934 . . . . 0.0 113.378 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -53.73 129.67 34.07 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.845 1.658 . . . . 0.0 112.853 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 67.45 5.35 4.25 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.925 2.09 . . . . 0.0 114.813 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . 0.267 23.1 p80 57.48 1.31 0.11 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 129.617 3.167 . . . . 0.0 118.186 174.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 128.061 2.544 . . . . 0.0 113.847 171.732 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 166.58 -52.38 0.25 Allowed Glycine 0 N--CA 1.472 1.035 0 C-N-CA 124.51 1.052 . . . . 0.0 113.315 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -164.18 141.99 7.02 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.929 1.691 . . . . 0.0 111.008 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.65 40.08 3.02 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.318 1.437 . . . . 0.0 115.002 -171.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -93.18 142.58 27.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.958 1.303 . . . . 0.0 112.614 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.22 -3.11 48.26 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.305 1.442 . . . . 0.0 113.892 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 71.42 2.94 4.47 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 128.12 2.568 . . . . 0.0 113.755 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.02 7.12 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 129.064 2.945 . . . . 0.0 113.604 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -58.46 -29.21 66.01 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.208 1.803 . . . . 0.0 113.322 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.56 -43.29 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.528 1.931 . . . . 0.0 111.27 -169.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -91.07 112.77 24.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.787 0.803 . . . . 0.0 112.21 -171.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.0 m -161.69 111.87 1.62 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 127.446 2.298 . . . . 0.0 106.69 169.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -164.22 30.78 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.968 1.307 . . . . 0.0 113.034 -169.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -147.77 113.31 5.65 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.315 1.446 . . . . 0.0 110.94 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -174.85 144.43 0.8 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.383 2.273 . . . . 0.0 110.093 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t70 66.71 -41.66 0.39 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 128.714 2.805 . . . . 0.0 114.138 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -67.34 -9.66 43.34 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.857 2.063 . . . . 0.0 112.049 169.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.9 pt -62.58 -19.18 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 127.115 2.166 . . . . 0.0 114.174 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 110.11 7.79 26.41 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 126.034 1.778 . . . . 0.0 114.578 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.5 t70 67.0 -66.38 0.19 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.963 2.905 . . . . 0.0 113.809 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.9 mt -145.06 0.56 0.94 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.717 2.007 . . . . 0.0 113.052 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -139.52 163.52 32.32 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.61 1.164 . . . . 0.0 113.855 -169.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -153.14 -145.5 0.17 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.677 1.991 . . . . 0.0 110.116 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -155.47 158.18 38.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.671 1.588 . . . . 0.0 112.206 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -105.08 -7.33 19.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.823 1.249 . . . . 0.0 113.769 -175.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.57 -37.67 85.43 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.398 -0.814 . . . . 0.0 111.933 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.72 -34.25 75.32 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.483 0.713 . . . . 0.0 112.145 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.5 mmt -65.24 -46.38 80.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.7 0.8 . . . . 0.0 110.702 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -70.53 -2.2 13.34 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.846 1.658 . . . . 0.0 113.967 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -122.79 -30.88 3.77 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.348 1.059 . . . . 0.0 113.221 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.7 m -111.27 -8.05 14.38 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.86 37.16 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 125.138 1.375 . . . . 0.0 110.381 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -65.56 -9.35 25.8 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 28.5 m -132.2 -45.36 0.93 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.648 1.179 . . . . 0.0 112.96 -172.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.5 p -84.26 -10.43 57.68 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.83 -42.34 93.32 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.943 0.792 . . . . 0.0 112.388 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.37 -29.1 62.41 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.02 -41.69 28.3 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.566 0.746 . . . . 0.0 111.185 175.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.38 94.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.151 0.58 . . . . 0.0 111.69 171.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.44 -47.78 80.49 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.379 1.072 . . . . 0.0 111.309 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -56.86 -46.66 81.65 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.248 0.931 . . . . 0.0 112.331 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.94 80.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.574 0.749 . . . . 0.0 112.719 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.32 -42.58 96.24 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.489 0.716 . . . . 0.0 112.185 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.0 -38.26 85.67 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.111 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.74 -42.3 82.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.6 1.545 . . . . 0.0 112.099 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.48 -26.37 68.41 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.13 -38.77 18.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.535 1.134 . . . . 0.0 111.776 170.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.31 -21.22 66.53 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.054 0.941 . . . . 0.0 112.025 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.68 62.77 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.98 0.912 . . . . 0.0 112.937 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -88.01 -35.83 17.36 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.072 0.949 . . . . 0.0 111.846 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -67.2 -33.8 76.14 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.69 -1.257 . . . . 0.0 112.548 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -74.95 -17.12 60.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.185 0.994 . . . . 0.0 113.15 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.98 -21.73 18.41 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.914 1.286 . . . . 0.0 113.832 171.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 78.68 143.91 0.08 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 129.906 3.283 . . . . 0.0 111.13 -169.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -61.31 -12.31 13.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.201 1.401 . . . . 0.0 114.78 -170.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.13 -15.94 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.119 -0.988 . . . . 0.0 113.302 169.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -78.81 -18.48 54.0 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.9 p -84.83 -27.83 26.49 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.185 1.394 . . . . 0.0 112.451 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.87 -17.87 62.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.954 1.301 . . . . 0.0 112.948 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.01 -7.96 0.91 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.263 1.825 . . . . 0.0 115.392 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 79.5 mt -79.76 -12.56 59.78 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.315 1.446 . . . . 0.0 113.284 171.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -157.19 9.08 0.19 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -71.15 -11.43 60.94 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -151.83 164.57 36.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.342 1.457 . . . . 0.0 114.188 -172.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -162.38 -31.35 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 128.236 2.614 . . . . 0.0 111.896 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -151.74 133.0 14.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.498 2.719 . . . . 0.0 108.718 169.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -71.89 93.34 1.33 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.933 0.893 . . . . 0.0 112.248 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 74.3 t60 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.906 2.082 . . . . 0.0 111.64 -178.88 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.1 ppp? . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.42 142.39 12.69 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.295 1.426 . . . . 0.0 112.526 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -163.08 141.86 8.42 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.241 1.817 . . . . 0.0 111.069 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.63 111.56 2.58 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.168 1.366 . . . . 0.0 111.897 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -161.33 142.93 11.69 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.167 1.787 . . . . 0.0 110.889 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -153.39 0.69 0.25 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.684 1.594 . . . . 0.0 114.527 -174.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -76.57 -40.73 48.83 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.949 0.795 . . . . 0.0 112.264 -174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.55 79.63 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-O 122.987 1.375 . . . . 0.0 110.004 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -168.79 -58.77 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.502 1.921 . . . . 0.0 109.47 -171.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.5 mt -146.4 -6.36 0.55 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.988 2.115 . . . . 0.0 113.952 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 74.4 126.58 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.08 2.552 . . . . 0.0 112.07 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.2 m -83.07 92.58 7.42 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.644 1.178 . . . . 0.0 108.509 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -111.4 -1.23 16.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.653 1.581 . . . . 0.0 114.634 -173.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -69.15 -54.68 13.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.742 1.217 . . . . 0.0 111.013 175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -170.69 144.95 2.4 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.53 2.332 . . . . 0.0 109.284 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -157.66 44.36 0.34 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.323 1.449 . . . . 0.0 110.335 -176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 62.68 37.81 12.48 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.754 1.621 . . . . 0.0 111.762 -173.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.4 HD12 ' H ' ' A' ' 119' ' ' ASP . 1.4 pp -76.52 1.28 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -170.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.12 11.49 78.5 Favored Glycine 0 N--CA 1.474 1.208 0 C-N-CA 125.293 1.425 . . . . 0.0 115.394 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.4 ' H ' HD12 ' A' ' 117' ' ' ILE . 23.5 t70 71.23 -35.32 0.33 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 129.259 3.023 . . . . 0.0 114.001 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.1 mt -144.02 131.88 21.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.421 2.288 . . . . 0.0 109.015 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -72.76 146.19 46.55 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.61 69.25 8.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.761 1.625 . . . . 0.0 112.495 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.14 129.17 34.85 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.711 1.204 . . . . 0.0 111.897 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -142.97 10.65 1.77 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.598 1.559 . . . . 0.0 113.231 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.63 -22.47 64.42 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.953 -1.092 . . . . 0.0 113.505 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -72.26 -42.42 65.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.596 0.758 . . . . 0.0 110.94 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 96.6 mmm -68.5 -15.6 63.6 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.351 -0.843 . . . . 0.0 113.024 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -79.63 -12.44 59.83 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.388 1.475 . . . . 0.0 112.998 172.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -128.62 -13.02 4.85 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 86.8 p -60.37 -26.71 66.83 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.57 -1.332 . . . . 0.0 113.599 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.67 -24.14 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.765 1.226 . . . . 0.0 113.266 173.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -92.17 -28.36 17.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.996 1.318 . . . . 0.0 112.054 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 82.6 m -93.46 -35.15 13.11 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.721 1.208 . . . . 0.0 112.881 -172.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 37.4 p -64.61 -27.07 68.69 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.7 tp -72.18 -34.36 68.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.88 0.872 . . . . 0.0 112.033 173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -79.03 -29.76 43.75 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.778 0.831 . . . . 0.0 111.844 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.91 -38.5 76.3 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.367 -0.833 . . . . 0.0 112.07 172.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.23 93.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.731 0.812 . . . . 0.0 111.873 171.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.05 -48.22 80.75 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.598 0.759 . . . . 0.0 111.554 171.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -65.36 -31.63 72.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.12 79.06 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.565 1.075 . . . . 0.0 112.242 173.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -68.38 -35.29 77.48 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -64.94 -48.91 72.39 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.49 0.716 . . . . 0.0 111.066 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.62 -36.76 76.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.089 0.955 . . . . 0.0 112.541 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.92 -26.02 67.41 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 174.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.42 -28.47 22.1 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.917 0.887 . . . . 0.0 112.303 173.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -82.86 -33.53 27.0 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.338 1.055 . . . . 0.0 113.287 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.91 -26.2 68.21 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.364 1.065 . . . . 0.0 113.52 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -87.38 -19.15 28.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.907 1.283 . . . . 0.0 113.083 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.63 -40.32 13.41 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.212 1.005 . . . . 0.0 112.535 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -70.32 -8.98 54.71 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.05 -13.34 61.95 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.221 1.408 . . . . 0.0 113.886 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.69 109.4 10.43 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.053 0.941 . . . . 0.0 110.438 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -163.95 130.24 3.12 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.08 1.752 . . . . 0.0 110.082 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 20.6 tt -160.93 -39.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.364 1.866 . . . . 0.0 110.951 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.31 -24.02 64.66 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.564 1.145 . . . . 0.0 113.505 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.4 m -69.31 -21.69 63.83 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.704 0.802 . . . . 0.0 112.998 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -74.68 -22.57 58.8 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.063 0.847 . . . . 0.0 113.108 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.4 tp -165.12 117.57 1.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.714 1.606 . . . . 0.0 110.447 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.09 -38.59 89.44 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.04 1.336 . . . . 0.0 113.421 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 74.57 51.55 0.09 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.359 2.264 . . . . 0.0 109.727 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -153.6 138.46 17.12 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.773 1.229 . . . . 0.0 112.476 -176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -141.23 104.21 4.58 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.04 2.136 . . . . 0.0 110.37 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -79.23 119.89 22.94 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.22 1.008 . . . . 0.0 113.638 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 50.0 m80 63.1 15.08 8.2 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.165 1.786 . . . . 0.0 115.441 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -86.06 42.05 0.96 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.673 1.589 . . . . 0.0 112.972 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 58.0 m80 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 126.611 1.965 . . . . 0.0 113.303 179.413 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.87 -146.42 5.26 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 125.491 1.519 . . . . 0.0 112.375 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.0 t70 72.05 148.97 0.09 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 128.592 2.757 . . . . 0.0 114.416 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.5 71.52 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.831 1.205 . . . . 0.0 113.15 174.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -158.44 126.42 5.21 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.354 1.462 . . . . 0.0 111.368 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.3 mt -139.94 2.09 1.91 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.232 1.813 . . . . 0.0 113.084 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -96.49 6.14 49.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.189 1.396 . . . . 0.0 114.005 -169.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.251 9.2 p -137.58 44.83 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 123.996 1.855 . . . . 0.0 111.323 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -94.13 5.02 53.05 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.797 2.039 . . . . 0.0 108.894 169.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.0 tp 63.85 48.67 3.1 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.107 2.563 . . . . 0.0 111.281 -175.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.47 127.68 25.95 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.89 172.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.7 t -159.85 -154.65 0.41 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.811 1.644 . . . . 0.0 110.236 -169.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -139.03 125.74 20.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.465 2.706 . . . . 0.0 108.277 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -142.93 23.36 1.9 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 74.54 119.89 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.719 2.408 . . . . 0.0 114.426 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -91.21 -14.46 30.97 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.02 1.328 . . . . 0.0 110.085 168.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -90.13 6.82 40.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.658 1.983 . . . . 0.0 113.157 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.9 pt -43.42 -25.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 131.86 20.53 1.06 Allowed Glycine 0 N--CA 1.472 1.079 0 C-N-CA 125.089 1.328 . . . . 0.0 114.962 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.28 -19.16 61.43 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 118.705 1.252 . . . . 0.0 113.503 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.0 tp -101.23 -1.2 34.33 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.656 2.382 . . . . 0.0 112.534 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -66.78 142.49 57.35 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.629 -1.295 . . . . 0.0 114.301 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -168.64 142.36 3.08 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.063 2.545 . . . . 0.0 108.973 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.98 146.75 24.3 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.813 1.245 . . . . 0.0 112.998 -176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -155.16 7.43 0.26 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.413 1.885 . . . . 0.0 112.469 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -63.58 -25.09 68.08 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.552 -1.343 . . . . 0.0 114.314 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -63.55 -32.62 74.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.21 1.004 . . . . 0.0 112.508 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 15.7 tpt -93.21 -29.16 15.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.771 1.229 . . . . 0.0 112.604 173.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -64.68 -15.92 62.09 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.496 0.718 . . . . 0.0 112.819 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -132.35 15.41 4.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.09 1.756 . . . . 0.0 112.281 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.6 p -62.51 -26.84 68.76 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 119.996 -1.69 . . . . 0.0 113.221 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.31 3.2 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.672 1.989 . . . . 0.0 114.288 175.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -70.46 -6.13 33.7 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.9 p -122.44 169.09 11.33 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.124 2.17 . . . . 0.0 110.756 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 50.3 m 74.13 -51.21 0.69 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.472 2.309 . . . . 0.0 113.7 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -9.76 58.92 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -177.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -111.46 -15.25 13.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.743 1.217 . . . . 0.0 111.897 169.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.2 -38.03 27.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.932 0.893 . . . . 0.0 111.486 173.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.38 84.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.847 0.859 . . . . 0.0 111.21 169.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.89 -49.86 75.77 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.148 0.579 . . . . 0.0 111.582 170.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -60.05 -40.14 88.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.575 0.75 . . . . 0.0 112.586 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.44 92.46 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.87 0.868 . . . . 0.0 112.45 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.05 -41.96 99.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.913 0.885 . . . . 0.0 111.917 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.68 -48.21 72.83 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.783 0.833 . . . . 0.0 111.615 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.95 -36.06 78.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.071 0.948 . . . . 0.0 112.526 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.29 -19.76 63.9 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -86.95 -44.14 11.85 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.01 0.823 . . . . 0.0 110.296 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -64.9 -22.7 67.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.157 0.983 . . . . 0.0 113.112 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.05 68.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.665 1.186 . . . . 0.0 113.481 173.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -87.62 -29.64 21.06 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.934 0.894 . . . . 0.0 112.245 173.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -88.56 -26.89 21.74 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -68.13 -9.77 49.09 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 172.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.9 -3.27 58.88 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.13 1.372 . . . . 0.0 114.252 173.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.59 132.13 43.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.351 1.061 . . . . 0.0 110.996 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -144.27 12.47 1.57 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 10.1 tp -59.97 -24.25 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 120.933 -1.104 . . . . 0.0 113.616 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -57.32 -18.02 15.04 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.09 1.356 . . . . 0.0 114.205 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.8 m -55.51 -31.38 62.01 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.994 1.317 . . . . 0.0 112.263 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -69.9 -17.8 63.36 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.5 pp -121.54 -5.07 9.27 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 69.7 mt -81.74 -5.41 58.12 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.735 1.214 . . . . 0.0 113.686 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -121.04 4.81 10.4 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.253 1.421 . . . . 0.0 113.964 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -67.91 -53.03 29.6 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.104 -0.997 . . . . 0.0 113.417 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -173.12 -102.47 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.866 2.466 . . . . 0.0 110.9 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' HIS . . . . . 0.403 ' CD2' ' H ' ' A' ' 166' ' ' HIS . 19.2 t60 -169.58 162.87 10.1 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.825 2.45 . . . . 0.0 110.846 -171.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.46 -25.55 67.56 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 121.166 -0.958 . . . . 0.0 113.27 172.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.403 ' H ' ' CD2' ' A' ' 164' ' ' HIS . 39.8 t60 56.26 48.02 18.08 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.569 1.948 . . . . 0.0 114.423 169.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.123 1.769 . . . . 0.0 112.165 -176.751 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 79.5 mtm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.68 145.21 5.17 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.288 1.423 . . . . 0.0 112.487 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.02 135.2 9.03 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.922 1.689 . . . . 0.0 111.241 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.57 60.7 0.35 Allowed Glycine 0 N--CA 1.471 0.984 0 C-N-CA 125.626 1.584 . . . . 0.0 113.296 -172.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -152.7 143.73 23.05 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.042 1.337 . . . . 0.0 111.806 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.3 mt -119.97 -0.48 10.6 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.391 1.476 . . . . 0.0 113.595 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.1 -31.99 13.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.762 1.225 . . . . 0.0 111.851 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.87 2.34 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.035 1.734 . . . . 0.0 113.505 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.42 -59.5 3.12 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.457 1.903 . . . . 0.0 111.843 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.2 -14.31 20.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.544 1.937 . . . . 0.0 111.805 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 62.99 -175.83 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.694 2.398 . . . . 0.0 113.357 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.9 m -84.74 98.44 10.25 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 73.0 mtm-85 -64.86 97.43 0.22 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.094 1.758 . . . . 0.0 111.528 -171.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -150.28 130.53 13.66 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.797 2.839 . . . . 0.0 108.163 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.46 -51.68 2.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.567 1.147 . . . . 0.0 112.357 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 52.18 18.35 0.86 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.223 1.809 . . . . 0.0 115.537 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 64.8 25.12 12.89 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.093 2.157 . . . . 0.0 112.964 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.7 pp -75.77 -9.67 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 120.382 -1.449 . . . . 0.0 114.52 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.4 8.77 73.84 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.06 1.314 . . . . 0.0 115.062 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.5 t70 68.59 -15.67 0.23 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 128.316 2.646 . . . . 0.0 114.139 -172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.8 tp -153.09 126.78 8.82 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.937 2.895 . . . . 0.0 106.44 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -61.01 -21.08 63.25 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -169.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -163.31 128.97 3.14 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.503 1.521 . . . . 0.0 111.011 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -163.09 154.58 17.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.477 1.911 . . . . 0.0 111.289 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.8 13.17 2.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.369 1.467 . . . . 0.0 112.901 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -143.83 -30.42 0.49 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.127 1.371 . . . . 0.0 113.218 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.22 -47.11 71.8 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.823 0.738 . . . . 0.0 110.638 170.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 28.2 ptm -60.02 -23.61 63.82 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.887 0.875 . . . . 0.0 113.28 171.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.3 ttm-85 -82.29 -5.58 58.66 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.838 1.655 . . . . 0.0 113.379 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -133.21 -17.61 2.34 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 81.1 p -66.41 -27.02 67.52 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.305 1.412 . . . . 0.0 113.508 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.68 -10.45 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.935 1.694 . . . . 0.0 112.707 171.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -96.37 -15.57 21.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.285 1.434 . . . . 0.0 113.125 -171.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 37.8 p -89.15 -39.05 13.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.227 1.411 . . . . 0.0 111.915 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 62.7 p -68.22 -24.71 64.95 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.07 -13.44 61.2 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -88.2 -31.46 19.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.157 0.983 . . . . 0.0 111.347 172.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.54 -35.9 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.544 -0.722 . . . . 0.0 111.626 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.6 95.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.633 0.773 . . . . 0.0 112.072 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.49 -47.25 86.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.982 0.913 . . . . 0.0 111.584 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -59.88 -45.09 93.61 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.675 0.79 . . . . 0.0 112.307 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.15 91.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.929 0.892 . . . . 0.0 112.956 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -69.03 -38.0 78.93 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.842 0.857 . . . . 0.0 112.344 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -71.19 -35.63 71.63 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.826 0.739 . . . . 0.0 112.229 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.45 -39.34 91.93 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.339 -0.851 . . . . 0.0 112.036 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.22 78.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.92 0.888 . . . . 0.0 112.818 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -67.11 -41.59 85.97 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.942 0.897 . . . . 0.0 110.991 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -65.84 -41.93 91.14 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.79 -0.569 . . . . 0.0 111.554 173.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.47 -34.14 77.11 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.267 0.627 . . . . 0.0 112.421 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -67.3 -30.78 70.72 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.766 0.826 . . . . 0.0 112.162 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -75.08 -37.81 61.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.405 -0.809 . . . . 0.0 111.916 172.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -67.23 -30.05 69.86 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.68 0.792 . . . . 0.0 112.943 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.59 -12.68 61.48 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -59.22 137.36 58.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.155 0.982 . . . . 0.0 111.838 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . 0.292 1.9 pt-20 68.52 -10.81 0.44 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 129.057 2.943 . . . . 0.0 116.342 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.76 129.01 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.949 -1.094 . . . . 0.0 110.742 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 68.45 1.79 3.08 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.615 2.366 . . . . 0.0 115.161 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.3 p -64.09 -21.33 66.49 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.42 -17.87 64.88 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.006 1.322 . . . . 0.0 113.752 173.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.25 -53.32 1.11 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.697 1.199 . . . . 0.0 113.027 -174.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 88.8 mt 60.82 7.29 1.41 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.377 2.271 . . . . 0.0 114.668 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -161.15 41.75 0.16 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.932 1.693 . . . . 0.0 110.7 -172.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -63.02 -26.49 68.88 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.773 -1.204 . . . . 0.0 113.8 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -162.59 154.26 18.18 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.994 2.118 . . . . 0.0 111.859 174.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -154.92 133.23 11.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.816 1.647 . . . . 0.0 111.358 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -81.25 84.48 6.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.384 1.073 . . . . 0.0 110.836 172.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -87.53 5.33 39.75 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.978 1.311 . . . . 0.0 114.496 -173.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 52.9 m80 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.371 1.868 . . . . 0.0 112.27 -170.429 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.02 -16.75 37.29 Favored Glycine 0 N--CA 1.477 1.375 0 C-N-CA 124.414 1.007 . . . . 0.0 114.929 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -151.41 147.36 26.8 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.2 1.8 . . . . 0.0 111.068 -173.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 173.38 42.42 0.04 OUTLIER Glycine 0 N--CA 1.469 0.868 0 C-N-CA 124.022 0.82 . . . . 0.0 114.584 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -132.33 94.41 3.44 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.323 1.449 . . . . 0.0 110.861 -175.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -160.39 -2.01 0.06 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -170.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.39 -0.19 21.86 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.406 1.482 . . . . 0.0 113.639 -173.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.08 11.62 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 127.749 2.42 . . . . 0.0 111.913 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -113.1 -67.29 1.01 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.618 1.567 . . . . 0.0 110.766 -170.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 tp -92.04 -2.53 56.62 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.613 1.965 . . . . 0.0 111.382 172.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -148.34 -169.48 3.36 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.366 1.866 . . . . 0.0 109.642 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.4 m -152.42 122.96 7.3 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.439 1.496 . . . . 0.0 108.656 170.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.5 129.7 1.61 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.945 2.098 . . . . 0.0 108.288 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.77 171.05 18.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.768 2.027 . . . . 0.0 110.732 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.84 147.21 43.61 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.838 1.655 . . . . 0.0 114.434 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.1 t70 173.25 -27.76 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 130.378 3.471 . . . . 0.0 110.133 -169.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.39 -2.31 22.31 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.042 1.337 . . . . 0.0 113.377 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.28 -35.44 71.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.285 1.434 . . . . 0.0 113.099 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.73 0.62 81.22 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 126.019 1.771 . . . . 0.0 114.227 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t70 69.15 -38.6 0.4 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 129.572 3.149 . . . . 0.0 115.057 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.46 -25.98 66.16 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.658 1.183 . . . . 0.0 113.06 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -81.33 -8.3 59.72 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.062 0.945 . . . . 0.0 113.274 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.74 9.11 37.24 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.016 1.726 . . . . 0.0 113.382 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.76 4.79 5.76 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.59 1.556 . . . . 0.0 114.695 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -63.98 -10.55 22.17 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.358 1.463 . . . . 0.0 114.652 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.87 -29.41 70.17 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.366 0.985 . . . . 0.0 112.865 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -76.72 -18.78 58.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.809 0.844 . . . . 0.0 112.707 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.1 mmt -89.03 -19.31 25.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.897 1.279 . . . . 0.0 112.213 171.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -81.31 -0.66 42.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.465 1.906 . . . . 0.0 112.126 169.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -145.38 -163.15 1.65 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.364 2.666 . . . . 0.0 107.02 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 26.0 p 66.16 -49.9 0.42 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.522 3.129 . . . . 0.0 115.646 171.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.99 -21.51 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.746 1.619 . . . . 0.0 112.943 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -72.34 -9.87 59.06 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.198 1.399 . . . . 0.0 114.356 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 28.6 m -132.47 -27.28 1.76 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.951 1.7 . . . . 0.0 112.656 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.4 m -69.43 -4.42 18.5 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -170.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.92 -41.23 97.71 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.037 -1.04 . . . . 0.0 111.146 170.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -74.85 -23.11 58.37 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.238 0.615 . . . . 0.0 112.464 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.57 -35.55 45.79 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.449 -0.782 . . . . 0.0 112.15 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.97 87.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.278 1.031 . . . . 0.0 111.337 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.93 -49.74 75.72 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.112 0.965 . . . . 0.0 111.563 169.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.73 -39.97 86.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.576 0.751 . . . . 0.0 112.538 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.84 82.87 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.12 -36.59 83.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.062 0.945 . . . . 0.0 112.266 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.92 -48.73 62.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.929 0.492 . . . . 0.0 111.626 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.94 -34.06 74.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.713 1.205 . . . . 0.0 113.028 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.05 -26.19 68.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -86.93 -43.34 12.47 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.663 0.665 . . . . 0.0 111.262 170.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -34.3 77.65 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.938 0.895 . . . . 0.0 112.915 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.71 -28.66 69.57 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.529 1.059 . . . . 0.0 113.741 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -78.24 -29.3 48.1 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.421 0.688 . . . . 0.0 111.72 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -88.91 -58.15 2.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.809 1.244 . . . . 0.0 113.084 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -33.58 14.09 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -171.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.82 -39.53 10.21 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 66.18 -27.34 0.11 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 128.914 2.885 . . . . 0.0 115.493 173.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -164.9 -97.58 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 128.184 2.594 . . . . 0.0 108.375 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 37.9 mt 65.36 -54.47 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 127.72 2.408 . . . . 0.0 111.647 -170.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -55.55 -46.94 77.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.142 1.377 . . . . 0.0 113.403 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.8 m -81.39 -22.97 37.95 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -80.37 -35.84 34.81 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.172 0.989 . . . . 0.0 112.073 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 tp -74.73 -48.42 25.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.183 1.393 . . . . 0.0 111.477 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 17.9 tp 72.13 147.87 0.08 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.085 2.554 . . . . 0.0 112.031 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -146.99 -46.38 0.18 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.457 1.103 . . . . 0.0 112.212 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -69.12 -12.18 61.45 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -143.85 15.84 1.76 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 126.343 1.857 . . . . 0.0 112.701 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -93.38 175.68 6.67 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.481 1.512 . . . . 0.0 113.104 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 68.0 t60 73.4 -34.15 0.28 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.879 2.872 . . . . 0.0 116.182 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.24 3.15 50.52 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.833 1.653 . . . . 0.0 113.684 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 127.13 2.172 . . . . 0.0 111.908 -175.778 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.6 -17.96 52.09 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 125.305 1.431 . . . . 0.0 114.65 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -162.58 140.07 8.18 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.968 2.107 . . . . 0.0 110.14 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.88 24.58 7.44 Favored Glycine 0 N--CA 1.474 1.177 0 C-N-CA 124.862 1.22 . . . . 0.0 115.636 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.27 0.16 52.83 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.728 1.211 . . . . 0.0 114.183 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 68.3 mt 70.39 -27.43 0.17 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.943 2.897 . . . . 0.0 115.375 169.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.32 -6.98 59.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.942 1.697 . . . . 0.0 113.183 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.05 87.97 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.505 1.922 . . . . 0.0 109.528 171.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -168.35 -56.93 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.565 1.946 . . . . 0.0 109.588 -169.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.9 mt -139.45 -17.87 0.99 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.703 2.001 . . . . 0.0 113.88 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 67.72 109.7 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 128.037 2.535 . . . . 0.0 114.146 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.7 m 68.41 11.62 8.42 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.886 2.074 . . . . 0.0 114.039 169.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -69.56 4.21 1.98 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -73.56 -43.11 60.63 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.134 1.773 . . . . 0.0 112.954 -175.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -139.64 98.48 3.49 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 126.145 1.778 . . . . 0.0 112.317 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -125.59 10.94 7.89 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.268 2.227 . . . . 0.0 110.37 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -129.07 2.26 5.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.897 1.279 . . . . 0.0 114.116 -171.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.8 tp -65.55 -36.33 77.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 124.725 1.21 . . . . 0.0 113.101 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.94 -1.7 83.36 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 126.207 1.86 . . . . 0.0 114.092 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 63.23 -71.81 0.05 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 129.036 2.935 . . . . 0.0 113.643 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.1 mt -145.04 -0.63 0.88 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.032 2.133 . . . . 0.0 112.768 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -116.08 167.09 11.3 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -156.71 -47.24 0.07 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.117 1.767 . . . . 0.0 112.049 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -160.76 124.82 3.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.164 1.386 . . . . 0.0 111.807 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 70.12 -24.19 0.16 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 129.283 3.033 . . . . 0.0 115.908 169.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.26 -23.41 61.21 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.438 -0.789 . . . . 0.0 112.542 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -57.22 -43.88 83.24 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.693 0.797 . . . . 0.0 110.879 172.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -64.9 -49.82 68.94 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.493 0.717 . . . . 0.0 110.556 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -57.04 -33.08 66.85 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.443 1.097 . . . . 0.0 113.449 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -89.63 -40.67 12.43 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.663 0.665 . . . . 0.0 112.498 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.4 p -79.58 -19.97 48.1 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -174.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.93 -17.4 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.892 1.223 . . . . 0.0 112.686 174.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -71.44 -13.49 61.85 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.817 1.247 . . . . 0.0 113.687 174.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.0 p -132.83 -26.51 1.76 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.82 1.648 . . . . 0.0 113.489 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.1 m -72.2 -8.6 55.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.389 1.076 . . . . 0.0 113.67 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.52 -42.86 75.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.0 1.32 . . . . 0.0 111.383 173.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.05 -23.35 52.06 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.84 -38.5 37.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.485 0.714 . . . . 0.0 111.57 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.43 96.42 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.852 0.861 . . . . 0.0 111.251 170.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -59.8 -47.75 84.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.859 0.864 . . . . 0.0 111.686 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.88 -44.26 91.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.401 0.68 . . . . 0.0 112.578 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.96 92.85 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.631 0.772 . . . . 0.0 112.756 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.97 -38.99 76.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.857 0.863 . . . . 0.0 112.425 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.51 -39.18 91.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.995 0.816 . . . . 0.0 111.858 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.6 -40.66 88.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 112.23 174.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.86 73.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.791 0.836 . . . . 0.0 113.044 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -69.27 -45.85 68.67 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.808 0.843 . . . . 0.0 111.305 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.91 -33.48 76.11 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.821 -0.549 . . . . 0.0 112.091 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.29 64.9 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -87.51 -38.33 16.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.251 1.02 . . . . 0.0 111.228 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -69.59 -34.86 74.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.245 1.018 . . . . 0.0 112.768 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -75.99 -16.87 59.9 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.83 -9.76 39.22 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.888 1.275 . . . . 0.0 113.408 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 57.81 30.42 18.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.837 1.655 . . . . 0.0 112.711 175.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 70.54 5.13 5.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.398 2.279 . . . . 0.0 114.186 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.79 -24.03 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 O-C-N 120.36 -1.463 . . . . 0.0 111.107 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -64.62 -3.31 3.04 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.28 1.432 . . . . 0.0 114.709 171.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 91.7 m -58.72 -21.37 54.84 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.073 1.349 . . . . 0.0 112.63 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -66.34 -23.21 66.32 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.9 tp -165.64 112.18 0.92 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.464 1.505 . . . . 0.0 110.794 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -162.93 137.35 6.35 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.108 1.763 . . . . 0.0 110.726 -176.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -152.32 20.76 0.65 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.658 1.583 . . . . 0.0 111.807 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -82.73 21.28 1.02 Allowed 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.643 1.577 . . . . 0.0 113.823 -174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -74.75 -1.48 22.17 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.168 1.787 . . . . 0.0 115.05 -172.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -137.24 143.78 42.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.045 1.738 . . . . 0.0 111.939 -176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -81.66 88.38 6.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.729 1.211 . . . . 0.0 111.684 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -80.08 -18.18 50.67 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 76.8 t60 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 127.032 2.133 . . . . 0.0 112.345 -175.157 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.85 -13.36 62.66 Favored Glycine 0 N--CA 1.475 1.294 0 C-N-CA 124.418 1.008 . . . . 0.0 114.408 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -167.73 -40.06 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.945 1.698 . . . . 0.0 112.992 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.57 -30.65 9.97 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 125.233 1.397 . . . . 0.0 113.768 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -117.57 3.01 12.42 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.841 1.657 . . . . 0.0 112.808 172.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.7 mp 65.89 14.34 9.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 128.325 2.65 . . . . 0.0 113.604 170.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.77 40.46 0.31 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.266 1.826 . . . . 0.0 113.676 -172.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 p -168.02 93.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 127.83 2.452 . . . . 0.0 108.92 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -172.58 -58.04 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.12 2.168 . . . . 0.0 108.844 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.0 mt -135.73 -11.74 2.04 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.139 2.176 . . . . 0.0 113.403 173.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.08 -122.08 1.56 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.983 1.713 . . . . 0.0 111.49 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.2 t -159.61 141.7 13.38 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 128.312 2.645 . . . . 0.0 108.321 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 65.41 112.34 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 129.276 3.03 . . . . 0.0 112.745 -172.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -85.04 98.06 10.19 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.131 1.372 . . . . 0.0 109.378 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.7 154.22 24.06 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.892 1.677 . . . . 0.0 111.56 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -151.14 42.98 0.77 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.446 1.899 . . . . 0.0 109.981 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 62.86 32.24 15.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.624 1.97 . . . . 0.0 112.336 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -7.16 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.63 0.76 81.49 Favored Glycine 0 N--CA 1.473 1.138 0 C-N-CA 125.611 1.577 . . . . 0.0 114.885 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.2 t70 68.61 -23.18 0.14 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 128.788 2.835 . . . . 0.0 114.321 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.5 mt -137.32 126.53 24.63 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.831 2.452 . . . . 0.0 108.323 172.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -73.43 152.72 40.68 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.73 37.01 0.63 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.002 1.721 . . . . 0.0 113.881 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.65 161.12 42.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.612 1.565 . . . . 0.0 112.205 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -137.1 2.04 2.52 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.111 1.364 . . . . 0.0 113.475 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.07 -23.33 66.51 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.597 -1.315 . . . . 0.0 113.619 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.34 -39.21 71.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.462 0.705 . . . . 0.0 111.494 172.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.2 mmt -71.82 -30.0 65.03 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.075 0.95 . . . . 0.0 111.921 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -66.49 -42.26 87.7 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.539 1.136 . . . . 0.0 111.076 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -78.46 -36.11 45.74 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.181 0.993 . . . . 0.0 112.868 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.4 p -66.71 -21.72 66.08 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -173.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.2 t -93.69 -23.65 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.589 1.555 . . . . 0.0 111.721 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -84.14 -27.86 27.84 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.624 1.17 . . . . 0.0 112.761 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.9 t -89.01 154.77 19.94 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.313 1.445 . . . . 0.0 110.615 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.2 m 68.98 -41.54 0.47 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 128.022 2.529 . . . . 0.0 114.949 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.18 -34.85 78.98 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.217 1.007 . . . . 0.0 111.732 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -75.64 -24.53 56.42 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.874 0.87 . . . . 0.0 112.5 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.81 -38.05 33.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.68 0.792 . . . . 0.0 111.648 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.06 98.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.721 0.808 . . . . 0.0 111.743 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -61.32 -48.42 81.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.393 1.077 . . . . 0.0 111.642 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.31 -45.51 87.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.242 0.617 . . . . 0.0 112.017 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.08 71.57 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.685 0.794 . . . . 0.0 112.755 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -69.7 -29.22 66.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.55 -51.87 25.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.48 0.582 . . . . 0.0 111.56 169.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.47 -36.68 78.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.606 0.762 . . . . 0.0 112.318 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.81 -26.45 68.63 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.9 -44.23 11.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.953 0.797 . . . . 0.0 111.462 171.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -66.11 -21.64 66.36 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.571 1.148 . . . . 0.0 113.206 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.62 63.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.851 1.261 . . . . 0.0 114.044 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -83.74 -24.51 31.14 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.729 0.812 . . . . 0.0 111.735 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -88.48 -32.87 18.03 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.27 1.028 . . . . 0.0 112.731 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -80.45 -7.29 59.09 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -55.78 -22.47 24.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.103 1.361 . . . . 0.0 114.579 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -87.0 -2.86 58.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.951 1.3 . . . . 0.0 113.992 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -135.71 -18.12 1.66 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.95 -21.63 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 120.517 -1.365 . . . . 0.0 112.489 169.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -70.7 -9.15 56.53 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.413 1.485 . . . . 0.0 113.921 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -62.06 -21.25 64.78 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.349 1.46 . . . . 0.0 114.135 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.84 -18.21 65.27 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.78 50.11 1.76 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.181 1.392 . . . . 0.0 110.661 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 47.4 tp -79.59 85.08 5.36 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.192 1.397 . . . . 0.0 110.634 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -160.94 67.23 0.31 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.279 1.832 . . . . 0.0 108.7 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -93.02 70.08 4.54 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.537 1.135 . . . . 0.0 112.471 -169.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -61.22 152.33 29.15 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.851 1.66 . . . . 0.0 113.37 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 45.3 m80 60.74 -131.38 0.81 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.595 1.958 . . . . 0.0 111.221 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 67.77 -61.55 0.37 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.959 2.504 . . . . 0.0 113.484 -173.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 34.6 p80 45.88 29.37 0.71 Allowed 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 128.225 2.61 . . . . 0.0 117.305 169.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 73.0 t60 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.477 1.511 . . . . 0.0 113.044 -172.708 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.367 0.127 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.48 55.5 5.03 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 125.249 1.404 . . . . 0.0 113.394 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -161.36 142.33 11.26 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.913 1.685 . . . . 0.0 111.332 -175.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 78.4 34.35 36.48 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.214 0.912 . . . . 0.0 113.712 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -125.76 78.49 1.75 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.447 1.499 . . . . 0.0 111.592 -170.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.6 mp 67.14 5.32 4.08 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.63 2.372 . . . . 0.0 114.843 170.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.79 -26.1 65.03 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.448 -1.408 . . . . 0.0 112.713 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.12 0.35 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.276 2.23 . . . . 0.0 113.146 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.59 -60.82 2.25 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.721 1.208 . . . . 0.0 111.56 -176.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.8 mt -91.68 -11.19 37.64 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.365 1.866 . . . . 0.0 111.172 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.251 9.1 pt-20 54.81 12.95 0.64 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.304 2.642 . . . . 0.0 115.717 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.0 m -168.82 131.69 1.35 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 129.07 2.948 . . . . 0.0 107.185 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.76 27.2 0.38 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.643 1.177 . . . . 0.0 112.417 -173.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -162.88 142.97 9.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.588 1.955 . . . . 0.0 110.065 -174.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.3 159.14 37.23 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.405 1.882 . . . . 0.0 111.307 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -134.84 43.66 2.7 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.895 1.678 . . . . 0.0 110.908 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 72.44 16.84 4.87 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.711 2.005 . . . . 0.0 110.643 -169.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 117' ' ' ILE . 7.0 tp -168.07 147.59 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 131.507 3.923 . . . . 0.0 106.111 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -76.31 0.76 62.77 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 119.203 -0.776 . . . . 0.0 114.458 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.7 t70 68.22 -40.72 0.43 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 129.771 3.228 . . . . 0.0 115.851 174.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.73 -6.65 48.19 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.567 1.547 . . . . 0.0 113.853 -175.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -133.46 16.38 4.03 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.066 1.747 . . . . 0.0 112.842 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.28 -3.61 27.99 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.299 1.44 . . . . 0.0 114.724 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.93 111.26 6.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.59 1.556 . . . . 0.0 110.779 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -75.84 -21.07 57.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 113.222 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.92 -41.3 82.83 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.75 -1.219 . . . . 0.0 111.856 171.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.36 -32.84 73.22 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.386 0.674 . . . . 0.0 111.601 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 49.4 ttm -63.17 -48.68 77.4 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.691 0.796 . . . . 0.0 110.824 170.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -63.81 -35.14 79.64 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.576 0.751 . . . . 0.0 112.933 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -69.1 -24.07 64.08 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.94 0.791 . . . . 0.0 112.865 171.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.4 m -90.03 -33.28 16.39 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.959 0.903 . . . . 0.0 112.896 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 49.9 t -73.71 -36.0 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.45 1.1 . . . . 0.0 111.626 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -67.85 -25.68 65.66 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.6 p -89.44 -28.62 19.6 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.226 1.41 . . . . 0.0 112.134 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.9 m -74.28 -11.53 60.3 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.798 1.239 . . . . 0.0 113.578 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.48 -32.93 74.8 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.59 1.156 . . . . 0.0 113.621 -171.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -77.12 -32.59 56.58 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.821 0.737 . . . . 0.0 112.046 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.35 -37.19 52.85 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.452 -0.78 . . . . 0.0 111.583 174.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.81 72.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.475 0.71 . . . . 0.0 112.628 170.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -66.43 -48.07 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.907 1.283 . . . . 0.0 111.379 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.42 -40.92 83.78 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.589 -0.694 . . . . 0.0 112.204 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.21 98.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.425 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -61.53 -38.97 89.36 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.996 0.816 . . . . 0.0 112.867 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.64 -48.89 70.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.938 0.79 . . . . 0.0 111.621 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.08 -36.13 83.35 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.525 -0.734 . . . . 0.0 112.227 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.34 -18.95 62.36 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -85.49 -35.2 21.33 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.22 1.008 . . . . 0.0 110.016 173.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -72.08 -27.29 62.57 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.875 0.87 . . . . 0.0 112.519 171.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.85 -22.98 60.7 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.043 1.337 . . . . 0.0 113.805 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -83.08 -34.58 26.13 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.404 0.682 . . . . 0.0 111.083 173.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -81.33 -32.56 32.95 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.591 -0.693 . . . . 0.0 112.636 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -72.67 -17.01 61.69 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 172.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.86 -8.33 37.6 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.97 1.471 . . . . 0.0 114.97 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -79.31 130.3 35.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.026 0.83 . . . . 0.0 111.018 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -152.67 23.63 0.59 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.786 1.234 . . . . 0.0 113.122 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 46.8 pt -67.01 -7.34 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -169.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -140.14 3.11 1.96 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.267 1.427 . . . . 0.0 113.44 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.3 m -67.08 -31.39 71.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.16 1.384 . . . . 0.0 112.802 -173.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.0 -18.09 60.9 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.991 0.916 . . . . 0.0 112.645 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.15 -5.57 29.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.39 1.476 . . . . 0.0 113.244 -175.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.8 tp -152.38 109.5 3.53 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.481 1.112 . . . . 0.0 111.231 -177.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -167.99 -50.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.317 1.847 . . . . 0.0 110.117 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -158.39 -149.21 0.21 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.46 1.904 . . . . 0.0 111.003 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 74.63 -44.42 0.55 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.154 2.982 . . . . 0.0 115.136 172.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -85.43 -10.58 56.0 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.572 1.549 . . . . 0.0 113.289 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -78.61 -6.51 55.82 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.539 1.536 . . . . 0.0 114.404 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 59.54 10.5 1.93 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 128.26 2.624 . . . . 0.0 117.413 169.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 76.8 t60 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.088 1.755 . . . . 0.0 112.1 -178.124 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.8 ptt? . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.735 0.303 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -163.15 134.77 3.53 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.837 1.684 . . . . 0.0 110.611 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.21 -12.64 29.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.098 1.759 . . . . 0.0 115.285 -170.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.01 41.25 2.39 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.791 1.662 . . . . 0.0 113.824 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -154.14 133.57 12.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.697 1.599 . . . . 0.0 111.765 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.29 -12.22 55.17 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -171.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.43 3.88 53.85 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.711 1.204 . . . . 0.0 112.691 176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.262 8.9 p -137.44 64.67 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 124.059 1.885 . . . . 0.0 110.34 172.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -117.27 13.78 14.67 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.74 2.416 . . . . 0.0 109.559 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 tp 61.15 37.13 17.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.359 2.264 . . . . 0.0 111.619 -173.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.13 146.75 20.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.526 1.13 . . . . 0.0 111.46 -170.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.5 p -132.89 112.03 11.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.55 1.94 . . . . 0.0 108.385 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 88.7 mtm-85 -96.5 106.0 18.17 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.894 1.677 . . . . 0.0 109.529 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -154.42 170.1 22.18 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.229 2.611 . . . . 0.0 111.046 -173.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.9 148.86 49.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.982 1.713 . . . . 0.0 112.586 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -160.82 51.03 0.27 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.978 1.711 . . . . 0.0 110.962 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 64.25 25.69 13.61 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.338 1.855 . . . . 0.0 112.888 -174.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.3 pt -76.85 -23.52 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.858 1.263 . . . . 0.0 114.033 -171.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.5 2.69 81.01 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.062 1.315 . . . . 0.0 114.751 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -89.08 -13.8 37.78 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.181 1.392 . . . . 0.0 113.203 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.1 mt -124.4 -0.48 8.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.829 1.651 . . . . 0.0 113.194 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -162.59 154.7 18.72 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.821 1.648 . . . . 0.0 112.119 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.27 85.02 1.91 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.264 1.425 . . . . 0.0 111.482 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.6 166.62 21.47 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.375 1.47 . . . . 0.0 113.733 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -119.47 42.22 2.92 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.405 1.882 . . . . 0.0 111.054 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.68 -28.01 69.64 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.22 -33.41 75.3 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.54 -0.725 . . . . 0.0 112.579 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -75.69 -44.23 43.3 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.171 0.988 . . . . 0.0 110.145 171.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -55.56 -41.08 72.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.938 1.295 . . . . 0.0 112.482 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -76.15 -32.14 58.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.885 0.874 . . . . 0.0 112.55 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 66.2 m -68.65 -39.92 80.49 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.281 0.946 . . . . 0.0 112.585 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.4 m -81.69 -4.09 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.08 -1.33 16.9 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.788 0.835 . . . . 0.0 113.169 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.0 t -154.61 169.46 23.81 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.322 1.449 . . . . 0.0 113.214 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.1 m -66.0 6.33 0.39 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.028 2.131 . . . . 0.0 114.5 -169.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.76 -19.62 54.79 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.056 0.844 . . . . 0.0 110.852 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -95.44 -19.15 20.12 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 169.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.95 -39.16 35.25 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.486 -0.759 . . . . 0.0 112.067 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.88 92.5 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.45 0.7 . . . . 0.0 111.33 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.67 -49.79 76.1 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.562 0.745 . . . . 0.0 110.975 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.58 -42.97 89.24 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.729 0.812 . . . . 0.0 112.878 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.33 83.74 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.77 0.828 . . . . 0.0 112.651 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.48 -33.42 75.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.894 0.878 . . . . 0.0 112.462 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.67 -49.65 51.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.717 0.807 . . . . 0.0 111.046 172.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -58.98 -37.49 76.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.123 0.969 . . . . 0.0 112.719 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.49 -24.11 66.35 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -87.03 -42.96 12.68 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.919 0.888 . . . . 0.0 110.782 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -59.71 -35.79 75.23 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.439 1.096 . . . . 0.0 112.252 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.08 -22.2 66.7 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -87.46 -36.45 17.67 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.397 1.079 . . . . 0.0 110.905 173.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -74.25 -40.16 62.54 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.284 1.034 . . . . 0.0 112.272 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -61.73 -32.56 72.8 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.553 1.141 . . . . 0.0 111.965 174.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.5 -10.36 50.97 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -87.97 2.13 52.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.859 1.264 . . . . 0.0 113.421 176.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -60.63 -16.61 40.43 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -172.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 9.5 tp -59.67 -26.95 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.068 0.947 . . . . 0.0 112.532 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -76.45 -19.57 57.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.384 1.074 . . . . 0.0 113.143 176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.9 m -84.37 -25.32 29.23 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.399 1.48 . . . . 0.0 111.893 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.77 -18.12 62.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.114 1.366 . . . . 0.0 113.434 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.14 -6.19 51.96 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.134 1.374 . . . . 0.0 113.527 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 11.6 tp -148.25 -142.72 0.13 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.526 1.13 . . . . 0.0 111.192 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -175.42 152.98 1.44 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 129.095 2.958 . . . . 0.0 107.326 -169.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -66.51 -19.52 65.81 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 68.42 161.96 0.2 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 127.615 2.366 . . . . 0.0 115.531 171.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -130.36 -3.71 4.34 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -172.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 42.2 t60 70.35 -32.23 0.23 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.777 2.831 . . . . 0.0 116.829 171.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -111.74 6.04 19.52 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.737 2.015 . . . . 0.0 112.733 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 71.7 t60 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.388 2.275 . . . . 0.0 111.232 -176.794 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.47 0.176 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.54 127.66 1.82 Allowed Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.4 1.0 . . . . 0.0 112.717 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -129.14 -1.49 5.14 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.774 1.629 . . . . 0.0 112.538 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -95.0 43.11 2.29 Favored Glycine 0 N--CA 1.469 0.849 0 C-N-CA 126.567 2.032 . . . . 0.0 112.517 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -158.26 143.47 16.58 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.386 1.475 . . . . 0.0 111.76 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 pp -147.68 4.95 0.78 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.658 1.983 . . . . 0.0 112.954 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -77.15 -34.84 56.42 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.432 -0.792 . . . . 0.0 112.299 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.77 3.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 125.666 1.586 . . . . 0.0 114.281 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.37 -38.49 90.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.365 1.866 . . . . 0.0 112.165 172.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.4 tp -156.34 -21.66 0.1 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.913 1.685 . . . . 0.0 114.774 -169.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 64.22 -168.8 0.2 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.649 2.38 . . . . 0.0 112.927 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.0 p -142.46 140.31 31.87 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.905 2.482 . . . . 0.0 108.451 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -135.69 107.95 7.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 127.095 2.158 . . . . 0.0 109.634 -172.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -73.21 -17.37 61.36 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.802 1.241 . . . . 0.0 114.095 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -161.24 149.18 15.46 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.729 2.012 . . . . 0.0 110.097 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -158.64 39.57 0.24 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.847 1.659 . . . . 0.0 110.681 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 64.39 48.43 2.77 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.051 1.74 . . . . 0.0 110.807 -170.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -108.01 -173.84 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 126.539 1.936 . . . . 0.0 111.278 -174.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.42 9.04 56.89 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 126.987 2.232 . . . . 0.0 115.362 -173.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.13 -18.43 64.43 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 118.788 1.294 . . . . 0.0 113.397 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.8 mt -97.96 -4.77 35.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.59 1.556 . . . . 0.0 113.557 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -160.47 99.51 1.3 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.087 1.355 . . . . 0.0 112.097 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.59 -149.33 0.15 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.574 1.95 . . . . 0.0 110.117 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -156.16 158.29 37.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.21 2.204 . . . . 0.0 110.647 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -157.0 -40.7 0.07 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -173.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.37 -45.49 79.91 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.332 0.969 . . . . 0.0 113.005 -172.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.62 -27.15 58.33 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.379 0.672 . . . . 0.0 112.173 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -67.51 -48.27 67.55 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.466 1.106 . . . . 0.0 110.368 173.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.75 -25.3 67.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.585 1.154 . . . . 0.0 112.726 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.71 -42.6 21.66 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.082 0.953 . . . . 0.0 111.072 170.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 m -72.47 -26.99 62.02 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -174.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.08 41.97 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.584 1.554 . . . . 0.0 111.578 174.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -60.83 -17.83 52.18 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 20.7 p -96.2 -50.37 4.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.184 1.794 . . . . 0.0 111.441 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.2 m -62.81 -26.75 68.89 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -175.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.28 -23.9 64.81 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -83.31 -30.42 27.55 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.841 0.856 . . . . 0.0 111.755 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.3 -38.48 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.606 -0.684 . . . . 0.0 111.491 171.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.84 99.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.778 0.831 . . . . 0.0 111.591 170.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.53 -48.34 82.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.653 0.66 . . . . 0.0 111.452 172.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.52 -45.18 89.38 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.94 0.791 . . . . 0.0 112.463 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.83 86.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.734 0.814 . . . . 0.0 112.64 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.49 -40.82 96.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.234 1.014 . . . . 0.0 112.255 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.01 -42.81 84.34 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.866 1.266 . . . . 0.0 111.389 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.46 -44.14 88.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.615 0.766 . . . . 0.0 112.196 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.03 82.32 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.636 0.775 . . . . 0.0 112.954 177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.53 -46.68 63.14 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.857 0.863 . . . . 0.0 111.03 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -61.01 -40.59 94.15 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.776 0.716 . . . . 0.0 111.524 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.62 -23.2 65.88 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -83.64 -33.6 25.24 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.554 0.742 . . . . 0.0 111.207 170.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -73.54 -21.76 60.28 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.896 -1.128 . . . . 0.0 113.084 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -75.43 -27.89 59.14 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.589 0.631 . . . . 0.0 111.217 168.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.63 -25.98 16.54 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -135.83 169.35 17.7 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.846 1.658 . . . . 0.0 112.261 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 75.09 11.21 3.6 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.374 2.27 . . . . 0.0 114.816 172.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 19.5 tt -63.15 -34.58 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 119.977 -1.702 . . . . 0.0 112.119 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -75.68 -6.4 50.3 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.954 0.902 . . . . 0.0 113.365 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 4.9 m -81.0 -34.38 32.99 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.23 1.012 . . . . 0.0 110.245 171.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -80.25 -40.39 27.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.375 1.07 . . . . 0.0 111.607 170.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 82.9 mt -104.7 80.79 1.69 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.473 1.509 . . . . 0.0 109.437 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.82 -20.41 65.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.927 1.291 . . . . 0.0 113.931 -170.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.23 112.61 11.83 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.925 1.69 . . . . 0.0 108.011 169.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -149.83 22.11 0.89 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.07 1.348 . . . . 0.0 113.167 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 73.05 161.57 0.25 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 128.002 2.521 . . . . 0.0 113.676 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -98.55 -89.67 0.3 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.355 1.462 . . . . 0.0 113.457 -171.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -159.3 46.45 0.28 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.646 1.578 . . . . 0.0 112.086 -169.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -71.09 -5.36 30.93 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -174.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.878 2.071 . . . . 0.0 112.009 -174.546 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.2 ttt . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.59 -12.81 68.76 Favored Glycine 0 N--CA 1.477 1.39 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -156.05 150.41 25.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.766 1.627 . . . . 0.0 112.203 -172.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.94 -100.29 0.2 Allowed Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.848 1.213 . . . . 0.0 111.069 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -86.47 -4.21 59.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.016 1.326 . . . . 0.0 114.425 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 66.9 mt 68.99 -0.49 2.41 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.834 2.453 . . . . 0.0 115.002 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -71.87 -17.81 62.09 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.001 -1.062 . . . . 0.0 113.349 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.9 m -67.04 0.07 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 126.406 1.882 . . . . 0.0 114.52 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -71.55 -57.21 4.62 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 126.135 1.774 . . . . 0.0 111.216 174.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.2 tp -84.38 -19.67 33.2 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.581 1.953 . . . . 0.0 111.376 171.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.307 10.9 pt-20 47.83 -113.4 0.52 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.874 2.07 . . . . 0.0 112.966 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.2 t -151.21 137.08 18.1 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 127.58 2.352 . . . . 0.0 108.782 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.49 2.19 2.44 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.557 1.543 . . . . 0.0 114.936 -172.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -86.34 -26.61 24.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.468 1.107 . . . . 0.0 113.204 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.267 22.2 mt-10 53.42 45.85 27.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.221 1.808 . . . . 0.0 114.105 -174.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -94.06 11.77 28.69 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.542 1.537 . . . . 0.0 110.067 169.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -125.16 6.31 7.84 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.301 1.44 . . . . 0.0 113.707 -169.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -33.34 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.071 1.349 . . . . 0.0 112.248 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.48 62.89 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.837 1.684 . . . . 0.0 114.863 175.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 61.06 16.6 7.23 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.744 2.017 . . . . 0.0 114.123 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 mt 62.4 19.2 10.94 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.118 2.167 . . . . 0.0 113.295 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -155.24 50.74 0.58 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.28 1.832 . . . . 0.0 110.896 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.97 -17.58 61.46 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -169.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -162.08 145.59 11.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.004 1.322 . . . . 0.0 112.648 -177.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -156.73 14.48 0.28 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.107 1.763 . . . . 0.0 112.604 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -65.03 -23.64 67.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 120.978 -1.076 . . . . 0.0 113.319 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.2 -58.66 7.38 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.551 0.74 . . . . 0.0 110.388 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 31.1 ttm -78.29 -7.16 56.88 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.44 1.096 . . . . 0.0 113.176 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -116.26 -6.5 11.83 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -178.694 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -161.24 -38.53 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 172.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.7 m -80.94 -17.17 51.42 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.058 1.299 . . . . 0.0 114.463 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 5.4 p -146.42 26.95 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 125.156 1.382 . . . . 0.0 111.864 169.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -69.31 -27.78 65.68 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.033 1.333 . . . . 0.0 113.979 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.3 p -158.45 165.77 33.82 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.094 2.158 . . . . 0.0 111.314 -174.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.6 t 81.54 -18.27 0.5 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 128.502 2.721 . . . . 0.0 115.595 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.6 tp -96.03 -25.06 16.06 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.319 0.963 . . . . 0.0 113.255 172.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -97.39 -45.15 6.57 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.835 1.254 . . . . 0.0 111.616 -175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.0 -31.53 59.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.764 0.826 . . . . 0.0 113.04 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.92 -43.06 65.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.314 0.646 . . . . 0.0 111.196 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.43 -47.46 83.89 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.135 0.574 . . . . 0.0 111.646 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.16 -43.92 92.09 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.65 0.78 . . . . 0.0 112.325 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.98 99.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.397 0.679 . . . . 0.0 112.824 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.94 -38.45 76.18 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.05 -42.22 89.81 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.644 0.656 . . . . 0.0 111.518 175.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.41 -41.85 93.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.85 0.86 . . . . 0.0 112.243 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.69 76.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.696 0.799 . . . . 0.0 112.986 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.77 -46.73 35.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.135 0.574 . . . . 0.0 111.286 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -70.53 -35.96 73.46 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -174.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.43 -26.88 66.63 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -87.42 -28.99 21.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.628 0.771 . . . . 0.0 111.874 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -74.39 -35.64 63.48 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.056 0.943 . . . . 0.0 112.179 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.3 ptm85 -77.03 -14.96 59.76 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 175.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -80.88 -17.97 48.85 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -175.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 72.89 150.98 0.11 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.98 2.512 . . . . 0.0 112.834 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -138.66 102.25 4.54 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.944 1.297 . . . . 0.0 110.156 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 20.5 tt -156.57 56.46 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.77 1.628 . . . . 0.0 110.026 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . 0.279 8.3 p30 60.37 7.59 1.35 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 128.097 2.559 . . . . 0.0 115.703 -173.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.4 p -56.33 -43.57 79.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 127.951 2.5 . . . . 0.0 113.417 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -83.29 -17.74 41.47 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.167 0.987 . . . . 0.0 113.303 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.6 -16.28 52.07 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.433 1.093 . . . . 0.0 113.295 -176.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 53.3 tp -99.63 90.78 4.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.198 1.399 . . . . 0.0 109.56 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -165.26 99.32 0.73 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.621 1.568 . . . . 0.0 108.467 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -157.87 -90.79 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.291 1.436 . . . . 0.0 110.564 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 47.2 m80 64.46 9.43 4.99 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.228 2.211 . . . . 0.0 115.294 169.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -86.83 -31.27 20.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.225 1.41 . . . . 0.0 113.349 -178.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -164.61 41.44 0.08 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.077 2.151 . . . . 0.0 111.044 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -71.99 -0.46 11.63 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -170.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.06 2.144 . . . . 0.0 111.726 -179.44 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.528 0.204 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -94.48 29.92 8.42 Favored Glycine 0 N--CA 1.475 1.275 0 C-N-CA 125.817 1.675 . . . . 0.0 114.522 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.11 132.82 46.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.809 1.243 . . . . 0.0 112.841 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.65 -31.76 3.1 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 124.982 1.277 . . . . 0.0 114.856 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -82.65 110.8 18.03 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.892 1.277 . . . . 0.0 111.516 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.96 -15.57 62.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.49 1.516 . . . . 0.0 114.408 -172.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.09 -17.79 51.69 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.352 1.061 . . . . 0.0 113.068 175.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.37 91.79 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.828 1.251 . . . . 0.0 107.809 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -167.93 -54.32 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.744 2.018 . . . . 0.0 110.437 -169.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.9 tp -141.44 -8.71 0.97 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.048 1.739 . . . . 0.0 113.075 -173.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -15.65 62.8 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 176.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.58 4.33 52.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.205 2.202 . . . . 0.0 113.188 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -59.43 -7.17 1.26 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.755 2.022 . . . . 0.0 115.484 -172.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -62.67 -30.27 71.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.76 1.224 . . . . 0.0 113.457 172.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.46 154.17 32.82 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.592 1.087 . . . . 0.0 112.786 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -145.65 47.97 1.26 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.689 1.596 . . . . 0.0 110.835 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 66.35 22.61 10.79 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.524 1.93 . . . . 0.0 110.779 -169.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 117' ' ' ILE . 7.1 tp -168.65 149.52 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 131.634 3.973 . . . . 0.0 106.918 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.6 15.97 8.8 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 125.358 1.456 . . . . 0.0 115.336 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 64.8 -76.88 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.674 2.79 . . . . 0.0 113.057 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 99.2 mt -140.08 18.29 2.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.839 2.056 . . . . 0.0 112.319 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 76.28 150.27 0.11 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 128.753 2.821 . . . . 0.0 113.558 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -154.5 27.38 0.45 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -147.89 139.11 23.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.341 1.056 . . . . 0.0 112.519 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 68.17 -8.51 0.56 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 128.279 2.632 . . . . 0.0 116.168 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.03 -32.87 72.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.681 1.128 . . . . 0.0 113.784 -172.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -74.13 -37.61 64.03 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.949 0.899 . . . . 0.0 111.896 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 66.1 mtt -70.67 -39.82 73.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.088 0.955 . . . . 0.0 111.394 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -59.86 -18.07 41.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.392 1.877 . . . . 0.0 114.001 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -108.09 -38.69 5.71 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.928 0.891 . . . . 0.0 112.008 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.7 m -69.61 -31.63 69.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.889 1.222 . . . . 0.0 112.962 -173.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.3 t -86.17 -39.45 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.385 0.674 . . . . 0.0 110.827 175.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -71.6 -28.64 63.95 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 25.3 p -78.73 -46.35 19.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.802 0.841 . . . . 0.0 111.974 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.3 t -65.42 -24.59 67.24 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.91 3.22 53.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.531 1.532 . . . . 0.0 113.46 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -123.0 -29.52 3.91 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.44 -39.33 74.42 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.172 -0.955 . . . . 0.0 111.73 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.46 -37.25 74.26 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.599 0.76 . . . . 0.0 112.166 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.64 -46.39 90.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 171.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -41.57 99.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 112.254 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.51 97.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -69.65 -33.5 72.7 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.61 -44.64 73.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.659 0.784 . . . . 0.0 111.342 173.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.15 -36.91 85.58 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.028 0.931 . . . . 0.0 112.285 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.11 -21.66 66.36 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -86.48 -45.06 11.48 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.589 0.756 . . . . 0.0 110.748 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.19 -31.16 72.25 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.538 -0.726 . . . . 0.0 112.513 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.0 -23.39 63.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.888 1.275 . . . . 0.0 114.074 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -87.52 -27.61 22.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.411 1.084 . . . . 0.0 111.7 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -89.01 -27.44 20.86 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.676 1.59 . . . . 0.0 112.925 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -90.78 -6.09 54.81 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.641 1.976 . . . . 0.0 114.533 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -54.47 -0.95 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.23 0 N-CA-C 119.343 3.09 . . . . 0.0 119.343 -169.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 72.44 -80.0 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.639 2.375 . . . . 0.0 113.466 170.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 64.77 -43.17 0.31 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.247 3.019 . . . . 0.0 114.512 -173.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 18.6 tt -65.75 -26.64 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.195 1.398 . . . . 0.0 113.104 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -82.45 -0.84 48.12 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.715 1.206 . . . . 0.0 113.485 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 60.1 p -65.91 -21.08 66.42 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.608 1.563 . . . . 0.0 113.659 175.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.12 -17.93 21.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.686 1.594 . . . . 0.0 114.568 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.86 -10.11 57.28 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 176.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.52 85.78 4.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.413 1.085 . . . . 0.0 110.536 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -146.77 -10.59 0.46 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -88.26 -20.93 24.81 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -170.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -166.86 171.69 11.08 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.0 2.12 . . . . 0.0 111.776 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -151.78 -21.71 0.19 Allowed 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 55.5 m80 66.98 -6.58 0.55 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.565 2.346 . . . . 0.0 115.523 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 61.52 19.15 10.09 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 126.802 2.041 . . . . 0.0 114.513 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.409 1.884 . . . . 0.0 112.087 -173.181 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.91 -37.6 34.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.624 0.769 . . . . 0.0 111.647 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.21 96.43 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.863 0.865 . . . . 0.0 111.216 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -58.25 -50.67 72.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.363 0.665 . . . . 0.0 111.315 170.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.6 -42.58 88.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.469 0.708 . . . . 0.0 112.565 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.3 74.11 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.706 0.802 . . . . 0.0 112.448 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -63.66 -36.71 84.73 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.89 0.876 . . . . 0.0 112.61 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.46 -47.24 50.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.594 1.158 . . . . 0.0 111.211 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.22 -38.16 88.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.981 0.912 . . . . 0.0 112.373 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 175.112 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.42 -40.8 66.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.913 0.779 . . . . 0.0 112.196 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.39 92.45 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.448 0.699 . . . . 0.0 111.664 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.55 -53.06 62.47 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.726 0.81 . . . . 0.0 111.147 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -57.11 -48.07 79.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.684 0.794 . . . . 0.0 112.215 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.57 -51.0 67.25 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.545 0.738 . . . . 0.0 112.289 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.52 -40.48 95.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.713 0.805 . . . . 0.0 112.439 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -70.73 -47.14 61.3 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.986 0.914 . . . . 0.0 111.331 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.17 -41.38 99.22 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.436 -0.79 . . . . 0.0 112.006 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.302 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.95 -40.4 72.02 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.526 -0.734 . . . . 0.0 112.393 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.06 89.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.313 0.645 . . . . 0.0 111.738 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.31 -45.82 92.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.362 0.665 . . . . 0.0 111.567 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.55 -44.42 97.07 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 112.235 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.36 90.36 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -68.49 -38.75 81.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.664 0.785 . . . . 0.0 112.227 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -40.18 85.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -66.16 -36.83 84.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.738 0.815 . . . . 0.0 112.419 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 173.32 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.7 -38.79 67.4 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.602 -0.686 . . . . 0.0 111.569 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.5 91.41 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.61 0.764 . . . . 0.0 112.17 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.6 -48.13 78.61 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.08 0.952 . . . . 0.0 111.68 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.39 -45.77 84.15 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.77 0.828 . . . . 0.0 112.003 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.31 75.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.513 0.725 . . . . 0.0 112.727 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -72.67 -29.63 63.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.32 -36.24 58.38 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.149 0.886 . . . . 0.0 111.909 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.4 -39.3 81.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.371 0.987 . . . . 0.0 112.239 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.876 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.62 -40.1 66.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.753 0.706 . . . . 0.0 112.149 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.34 95.02 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.696 0.799 . . . . 0.0 111.778 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.22 -47.07 87.78 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.985 0.914 . . . . 0.0 111.665 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.04 -46.43 88.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.829 0.852 . . . . 0.0 112.003 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.89 96.17 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.488 0.715 . . . . 0.0 112.56 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -62.55 -44.37 96.5 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.123 0.969 . . . . 0.0 112.099 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.91 -46.49 71.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.522 0.729 . . . . 0.0 111.519 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.23 -41.17 92.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.402 1.081 . . . . 0.0 112.581 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.447 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -36.75 84.31 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.283 0.947 . . . . 0.0 112.839 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -82.15 -37.3 26.4 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.282 0.633 . . . . 0.0 111.718 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.03 85.67 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.525 0.73 . . . . 0.0 110.709 169.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.81 -43.44 98.79 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.557 1.143 . . . . 0.0 112.616 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.07 95.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.01 0.823 . . . . 0.0 112.491 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -64.9 -39.69 93.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.108 0.963 . . . . 0.0 112.41 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -65.7 -49.45 68.47 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.162 0.985 . . . . 0.0 111.392 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.55 -38.82 87.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.653 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.318 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.44 -39.93 74.05 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.02 90.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.503 0.721 . . . . 0.0 111.727 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.57 -46.01 90.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.777 0.831 . . . . 0.0 111.596 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -61.52 -43.21 99.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.045 0.938 . . . . 0.0 112.31 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.21 90.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.599 0.76 . . . . 0.0 112.735 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -68.52 -35.96 78.19 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.519 0.728 . . . . 0.0 112.623 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.91 -43.4 79.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 111.259 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.98 -41.37 97.55 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.353 -0.842 . . . . 0.0 112.07 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.769 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 175.619 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.44 -38.51 29.94 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.629 0.772 . . . . 0.0 111.147 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.94 98.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.503 0.721 . . . . 0.0 111.379 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.42 -45.1 94.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.639 0.775 . . . . 0.0 111.829 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.89 -42.79 94.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.569 0.747 . . . . 0.0 112.386 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.39 86.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -68.5 -33.4 74.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.51 0.724 . . . . 0.0 112.749 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.36 -43.26 67.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.03 0.932 . . . . 0.0 111.393 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.86 -37.74 88.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.856 0.862 . . . . 0.0 112.418 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.149 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.02 -41.69 28.3 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.566 0.746 . . . . 0.0 111.185 175.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.38 94.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.151 0.58 . . . . 0.0 111.69 171.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.44 -47.78 80.49 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.379 1.072 . . . . 0.0 111.309 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -56.86 -46.66 81.65 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.248 0.931 . . . . 0.0 112.331 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.94 80.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.574 0.749 . . . . 0.0 112.719 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.32 -42.58 96.24 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.489 0.716 . . . . 0.0 112.185 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.0 -38.26 85.67 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.111 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.74 -42.3 82.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.6 1.545 . . . . 0.0 112.099 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 176.761 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.91 -38.5 76.3 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.367 -0.833 . . . . 0.0 112.07 172.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.23 93.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.731 0.812 . . . . 0.0 111.873 171.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.05 -48.22 80.75 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.598 0.759 . . . . 0.0 111.554 171.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -65.36 -31.63 72.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.12 79.06 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.565 1.075 . . . . 0.0 112.242 173.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -68.38 -35.29 77.48 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -64.94 -48.91 72.39 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.49 0.716 . . . . 0.0 111.066 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.62 -36.76 76.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.089 0.955 . . . . 0.0 112.541 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 174.009 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.2 -38.03 27.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.932 0.893 . . . . 0.0 111.486 173.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.38 84.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.847 0.859 . . . . 0.0 111.21 169.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.89 -49.86 75.77 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.148 0.579 . . . . 0.0 111.582 170.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -60.05 -40.14 88.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.575 0.75 . . . . 0.0 112.586 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.44 92.46 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.87 0.868 . . . . 0.0 112.45 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.05 -41.96 99.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.913 0.885 . . . . 0.0 111.917 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.68 -48.21 72.83 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.783 0.833 . . . . 0.0 111.615 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.95 -36.06 78.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.071 0.948 . . . . 0.0 112.526 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.369 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.54 -35.9 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.544 -0.722 . . . . 0.0 111.626 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.6 95.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.633 0.773 . . . . 0.0 112.072 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.49 -47.25 86.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.982 0.913 . . . . 0.0 111.584 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -59.88 -45.09 93.61 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.675 0.79 . . . . 0.0 112.307 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.15 91.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.929 0.892 . . . . 0.0 112.956 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -69.03 -38.0 78.93 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.842 0.857 . . . . 0.0 112.344 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -71.19 -35.63 71.63 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.826 0.739 . . . . 0.0 112.229 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.45 -39.34 91.93 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.339 -0.851 . . . . 0.0 112.036 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 123.92 0.888 . . . . 0.0 112.818 173.586 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.57 -35.55 45.79 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.449 -0.782 . . . . 0.0 112.15 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.97 87.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.278 1.031 . . . . 0.0 111.337 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.93 -49.74 75.72 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.112 0.965 . . . . 0.0 111.563 169.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.73 -39.97 86.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.576 0.751 . . . . 0.0 112.538 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.84 82.87 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.12 -36.59 83.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.062 0.945 . . . . 0.0 112.266 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.92 -48.73 62.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.929 0.492 . . . . 0.0 111.626 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.94 -34.06 74.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.713 1.205 . . . . 0.0 113.028 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.115 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.84 -38.5 37.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.485 0.714 . . . . 0.0 111.57 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.43 96.42 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.852 0.861 . . . . 0.0 111.251 170.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -59.8 -47.75 84.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.859 0.864 . . . . 0.0 111.686 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.88 -44.26 91.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.401 0.68 . . . . 0.0 112.578 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.96 92.85 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.631 0.772 . . . . 0.0 112.756 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.97 -38.99 76.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.857 0.863 . . . . 0.0 112.425 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.51 -39.18 91.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.995 0.816 . . . . 0.0 111.858 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.6 -40.66 88.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 112.23 174.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 123.791 0.836 . . . . 0.0 113.044 175.365 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.81 -38.05 33.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.68 0.792 . . . . 0.0 111.648 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.06 98.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.721 0.808 . . . . 0.0 111.743 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -61.32 -48.42 81.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.393 1.077 . . . . 0.0 111.642 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.31 -45.51 87.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.242 0.617 . . . . 0.0 112.017 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.08 71.57 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.685 0.794 . . . . 0.0 112.755 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -69.7 -29.22 66.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.55 -51.87 25.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.48 0.582 . . . . 0.0 111.56 169.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.47 -36.68 78.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.606 0.762 . . . . 0.0 112.318 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.786 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.35 -37.19 52.85 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.452 -0.78 . . . . 0.0 111.583 174.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.81 72.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.475 0.71 . . . . 0.0 112.628 170.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -66.43 -48.07 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.907 1.283 . . . . 0.0 111.379 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.42 -40.92 83.78 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.589 -0.694 . . . . 0.0 112.204 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.21 98.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.425 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -61.53 -38.97 89.36 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.996 0.816 . . . . 0.0 112.867 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.64 -48.89 70.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.938 0.79 . . . . 0.0 111.621 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.08 -36.13 83.35 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.525 -0.734 . . . . 0.0 112.227 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.584 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.95 -39.16 35.25 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.486 -0.759 . . . . 0.0 112.067 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.88 92.5 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.45 0.7 . . . . 0.0 111.33 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.67 -49.79 76.1 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.562 0.745 . . . . 0.0 110.975 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.58 -42.97 89.24 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.729 0.812 . . . . 0.0 112.878 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.33 83.74 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.77 0.828 . . . . 0.0 112.651 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.48 -33.42 75.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.894 0.878 . . . . 0.0 112.462 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.67 -49.65 51.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.717 0.807 . . . . 0.0 111.046 172.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -58.98 -37.49 76.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.123 0.969 . . . . 0.0 112.719 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 175.522 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.3 -38.48 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.606 -0.684 . . . . 0.0 111.491 171.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.84 99.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.778 0.831 . . . . 0.0 111.591 170.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.53 -48.34 82.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.653 0.66 . . . . 0.0 111.452 172.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.52 -45.18 89.38 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.94 0.791 . . . . 0.0 112.463 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.83 86.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.734 0.814 . . . . 0.0 112.64 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.49 -40.82 96.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.234 1.014 . . . . 0.0 112.255 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.01 -42.81 84.34 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.866 1.266 . . . . 0.0 111.389 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.46 -44.14 88.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.615 0.766 . . . . 0.0 112.196 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 123.636 0.775 . . . . 0.0 112.954 177.726 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.0 -31.53 59.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.764 0.826 . . . . 0.0 113.04 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.92 -43.06 65.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.314 0.646 . . . . 0.0 111.196 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.43 -47.46 83.89 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.135 0.574 . . . . 0.0 111.646 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.16 -43.92 92.09 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.65 0.78 . . . . 0.0 112.325 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.98 99.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.397 0.679 . . . . 0.0 112.824 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.94 -38.45 76.18 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.05 -42.22 89.81 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.644 0.656 . . . . 0.0 111.518 175.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.41 -41.85 93.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.85 0.86 . . . . 0.0 112.243 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 123.696 0.799 . . . . 0.0 112.986 177.148 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.44 -39.33 74.42 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.172 -0.955 . . . . 0.0 111.73 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.46 -37.25 74.26 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.599 0.76 . . . . 0.0 112.166 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.64 -46.39 90.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 171.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -41.57 99.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 112.254 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.51 97.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -69.65 -33.5 72.7 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.61 -44.64 73.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.659 0.784 . . . . 0.0 111.342 173.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.15 -36.91 85.58 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.028 0.931 . . . . 0.0 112.285 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 174.532 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.92 19.88 66.6 Favored Glycine 0 N--CA 1.476 1.313 0 C-N-CA 124.169 0.89 . . . . 0.0 114.501 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -159.03 146.08 17.24 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.984 1.713 . . . . 0.0 111.251 -174.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.3 -29.41 0.78 Allowed Glycine 0 N--CA 1.472 1.071 0 C-N-CA 125.025 1.297 . . . . 0.0 114.139 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -142.48 145.46 33.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.823 2.049 . . . . 0.0 111.975 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -160.12 -137.8 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.893 2.077 . . . . 0.0 108.102 -172.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.75 35.97 24.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.597 1.959 . . . . 0.0 112.981 169.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.9 m -63.54 6.7 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 127.845 2.458 . . . . 0.0 116.285 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.35 -32.65 73.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.586 1.554 . . . . 0.0 111.116 169.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 tp -155.38 -31.24 0.1 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.734 2.414 . . . . 0.0 113.008 -173.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 76.5 112.53 0.07 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 128.646 2.778 . . . . 0.0 112.942 169.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.4 m 70.63 -20.06 0.21 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 127.713 2.405 . . . . 0.0 114.948 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 63.12 20.46 12.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.224 2.21 . . . . 0.0 113.706 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -79.79 -2.75 44.65 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.521 1.528 . . . . 0.0 114.08 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -155.45 119.75 4.64 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.453 2.301 . . . . 0.0 108.224 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -98.76 28.19 4.44 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.028 1.731 . . . . 0.0 111.671 -173.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 64.83 40.35 5.56 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.121 1.769 . . . . 0.0 110.689 -169.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -4.11 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -171.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 95.47 -3.49 65.97 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.509 1.528 . . . . 0.0 114.659 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.85 -21.62 60.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.425 1.113 . . . . 0.0 112.367 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -84.15 -21.93 31.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.702 1.601 . . . . 0.0 114.278 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -169.27 136.36 1.76 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.656 1.582 . . . . 0.0 112.318 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -155.87 -155.63 0.57 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.835 2.054 . . . . 0.0 109.409 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.24 136.81 15.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.39 1.476 . . . . 0.0 112.198 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -84.89 36.39 0.61 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.902 2.081 . . . . 0.0 113.332 -172.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -145.4 -48.86 0.23 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.53 1.132 . . . . 0.0 112.943 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.94 -37.59 69.98 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.835 0.743 . . . . 0.0 111.619 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.0 mmt -71.48 -18.08 62.32 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.333 -0.854 . . . . 0.0 112.543 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 85.7 mmt-85 -87.08 -5.32 59.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.468 1.507 . . . . 0.0 113.414 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -128.47 -25.75 2.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.252 1.021 . . . . 0.0 113.728 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.0 t -67.92 -32.0 72.15 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.812 1.187 . . . . 0.0 112.733 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 4.6 p -89.95 -9.55 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.995 1.318 . . . . 0.0 112.934 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -69.66 -32.53 71.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.257 1.023 . . . . 0.0 112.143 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.8 t -169.43 134.06 1.42 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.473 2.309 . . . . 0.0 109.492 169.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.9 m 178.65 -47.91 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.96 2.504 . . . . 0.0 111.127 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.04 -40.49 87.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.56 -22.71 56.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.76 0.824 . . . . 0.0 112.563 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.91 -37.6 34.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.624 0.769 . . . . 0.0 111.647 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.21 96.43 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.863 0.865 . . . . 0.0 111.216 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -58.25 -50.67 72.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.363 0.665 . . . . 0.0 111.315 170.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -58.6 -42.58 88.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.469 0.708 . . . . 0.0 112.565 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.12 -48.3 74.11 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.706 0.802 . . . . 0.0 112.448 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -63.66 -36.71 84.73 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.89 0.876 . . . . 0.0 112.61 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -72.46 -47.24 50.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.594 1.158 . . . . 0.0 111.211 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -62.22 -38.16 88.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.981 0.912 . . . . 0.0 112.373 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.42 65.95 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -87.06 -44.71 11.36 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.999 0.92 . . . . 0.0 110.604 172.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -61.71 -29.02 69.83 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.793 1.237 . . . . 0.0 112.757 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.19 -22.06 66.62 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.43 1.092 . . . . 0.0 113.845 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -87.88 -25.1 23.44 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.232 1.013 . . . . 0.0 112.405 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -88.21 -35.95 17.05 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.764 1.226 . . . . 0.0 112.549 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -57.64 -25.75 60.62 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.828 1.251 . . . . 0.0 113.202 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -75.38 -9.06 58.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.681 1.192 . . . . 0.0 114.135 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -96.24 -2.63 45.7 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.12 1.368 . . . . 0.0 112.804 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 68.74 -65.55 0.28 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.995 2.518 . . . . 0.0 113.14 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 22.3 mm 59.62 4.99 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 126.583 1.953 . . . . 0.0 112.653 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 56.96 41.36 27.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.827 2.051 . . . . 0.0 112.13 -169.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.5 p -47.77 -38.34 15.41 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 -171.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.83 -27.27 64.73 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.8 -8.97 59.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.303 1.041 . . . . 0.0 112.643 176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.5 mt -83.43 -2.96 57.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.788 1.235 . . . . 0.0 112.433 172.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -122.16 -57.97 1.74 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.413 1.485 . . . . 0.0 111.132 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 42.77 61.97 1.91 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.045 1.738 . . . . 0.0 114.445 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -64.25 109.71 1.97 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.993 0.917 . . . . 0.0 111.856 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -163.02 153.66 16.59 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.945 1.698 . . . . 0.0 111.767 -172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -82.54 -9.56 59.36 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 -173.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -43.45 101.13 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.259 1.823 . . . . 0.0 115.256 -169.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 126.354 1.862 . . . . 0.0 113.787 178.756 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.62 -139.95 10.9 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.197 1.379 . . . . 0.0 112.058 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -152.1 159.8 43.57 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.384 1.874 . . . . 0.0 112.303 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.54 99.99 0.13 Allowed Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.165 1.364 . . . . 0.0 111.191 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.19 139.97 48.5 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -172.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.9 mt -134.54 -46.92 0.75 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.992 2.117 . . . . 0.0 110.105 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -143.36 13.68 1.79 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.905 1.682 . . . . 0.0 112.304 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.3 m -81.75 15.15 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -169.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.06 -30.25 70.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.685 1.594 . . . . 0.0 111.419 169.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.8 tp -163.27 -41.89 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.968 2.107 . . . . 0.0 112.541 -169.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.289 9.6 pt-20 56.48 -25.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 131.69 3.996 . . . . 0.0 118.745 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -149.79 -119.68 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 128.334 2.654 . . . . 0.0 109.853 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 52.99 45.11 29.51 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.243 2.217 . . . . 0.0 112.61 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.14 88.59 4.24 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.757 1.623 . . . . 0.0 109.552 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -165.89 121.17 1.25 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.294 1.838 . . . . 0.0 110.279 -173.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -86.81 -8.91 56.9 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.85 1.26 . . . . 0.0 111.89 171.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -93.62 -21.32 19.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.238 1.415 . . . . 0.0 112.336 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . 0.273 0.2 OUTLIER 54.55 10.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 C-N-CA 128.314 2.646 . . . . 0.0 116.8 170.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.94 11.58 85.26 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.296 1.426 . . . . 0.0 113.182 -171.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.9 t70 69.27 -22.67 0.15 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 129.482 3.113 . . . . 0.0 115.597 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.3 mt -138.62 -88.5 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.01 1.724 . . . . 0.0 110.53 -174.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -161.1 123.26 3.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.316 1.447 . . . . 0.0 110.487 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -151.11 25.46 0.72 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.662 1.185 . . . . 0.0 113.83 -169.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.41 168.14 25.76 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.133 2.173 . . . . 0.0 109.587 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -143.34 10.2 1.67 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -169.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -72.5 -11.2 60.57 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.461 -1.4 . . . . 0.0 114.397 -175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -37.76 13.78 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.677 0.791 . . . . 0.0 110.803 169.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 57.8 ttm -61.15 -29.6 69.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.076 0.95 . . . . 0.0 111.976 169.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -63.87 -15.8 59.85 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.735 2.014 . . . . 0.0 113.369 171.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -123.13 -14.46 7.53 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.959 1.304 . . . . 0.0 114.13 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 94.2 p -71.23 -18.0 62.48 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.405 1.457 . . . . 0.0 113.454 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.5 m -83.22 30.01 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 127.164 2.185 . . . . 0.0 112.22 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -60.75 -36.06 77.96 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.804 1.242 . . . . 0.0 114.008 -169.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.6 t -65.74 -30.64 71.34 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.749 0.82 . . . . 0.0 112.539 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.7 m -78.09 -36.63 47.87 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.568 0.747 . . . . 0.0 111.681 174.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.96 -42.98 84.28 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.882 0.873 . . . . 0.0 111.922 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.46 -35.79 75.96 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.032 0.933 . . . . 0.0 112.614 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.42 -40.8 66.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.913 0.779 . . . . 0.0 112.196 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.39 92.45 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.448 0.699 . . . . 0.0 111.664 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.55 -53.06 62.47 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.726 0.81 . . . . 0.0 111.147 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -57.11 -48.07 79.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.684 0.794 . . . . 0.0 112.215 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.57 -51.0 67.25 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.545 0.738 . . . . 0.0 112.289 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.52 -40.48 95.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.713 0.805 . . . . 0.0 112.439 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -70.73 -47.14 61.3 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.986 0.914 . . . . 0.0 111.331 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.17 -41.38 99.22 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.436 -0.79 . . . . 0.0 112.006 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.74 -18.9 63.54 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.7 -44.59 11.7 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.908 0.883 . . . . 0.0 110.03 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -66.41 -31.31 71.99 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.163 0.985 . . . . 0.0 112.755 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.0 -23.96 65.07 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.378 1.071 . . . . 0.0 113.505 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -87.58 -37.42 16.85 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.781 0.832 . . . . 0.0 111.412 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -35.06 79.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.12 1.368 . . . . 0.0 112.267 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -76.46 -23.7 53.87 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 171.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.36 -22.68 17.58 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -174.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -153.16 148.26 26.72 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.441 1.097 . . . . 0.0 112.097 -169.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -168.28 -35.27 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.181 1.792 . . . . 0.0 113.255 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 17.8 tt -66.59 -23.35 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 120.752 -1.217 . . . . 0.0 113.261 -172.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -62.59 -19.63 63.91 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.4 m -84.5 -35.44 22.93 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.258 1.423 . . . . 0.0 110.757 174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.75 -30.12 65.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.015 0.926 . . . . 0.0 111.974 172.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.6 tp -70.59 -14.22 62.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.11 1.764 . . . . 0.0 112.516 169.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 12.5 tp 65.98 23.91 11.15 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.003 2.121 . . . . 0.0 112.633 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -158.82 113.06 2.44 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.724 1.21 . . . . 0.0 110.614 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -89.79 18.38 5.67 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.038 1.735 . . . . 0.0 113.305 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -126.29 -178.59 4.38 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.459 1.904 . . . . 0.0 112.888 -169.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -137.33 -172.59 3.25 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.817 1.647 . . . . 0.0 112.443 -170.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -71.59 -2.6 17.62 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -174.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.5 t60 60.72 68.52 0.74 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.519 1.928 . . . . 0.0 112.68 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.79 2.036 . . . . 0.0 113.657 -172.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.256 0.075 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.55 120.67 0.43 Allowed Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.887 1.708 . . . . 0.0 112.46 -176.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -159.98 78.03 0.67 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.767 1.227 . . . . 0.0 111.316 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.41 -8.77 31.46 Favored Glycine 0 N--CA 1.476 1.345 0 C-N-CA 125.868 1.699 . . . . 0.0 114.42 -174.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -166.43 154.66 10.37 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 129.553 3.141 . . . . 0.0 109.548 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -128.54 2.61 5.57 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.462 1.505 . . . . 0.0 114.195 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -93.6 -36.24 12.48 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.012 1.325 . . . . 0.0 111.599 175.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.1 p -66.08 -5.09 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.64 1.576 . . . . 0.0 113.354 173.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -58.44 -36.7 74.05 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.077 2.151 . . . . 0.0 113.222 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.2 mt -152.95 -38.25 0.1 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 127.557 2.343 . . . . 0.0 112.389 -170.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 56.14 69.81 0.7 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.301 2.24 . . . . 0.0 112.416 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.3 t 179.29 158.61 0.62 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 129.299 3.039 . . . . 0.0 108.084 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -70.18 100.31 1.65 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.316 1.446 . . . . 0.0 109.572 172.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -48.3 97.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.125 2.57 . . . . 0.0 113.477 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -153.13 153.36 32.63 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.911 1.285 . . . . 0.0 112.76 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -156.9 46.03 0.41 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.401 1.88 . . . . 0.0 110.588 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 68.14 26.67 7.07 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.284 1.834 . . . . 0.0 112.289 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.0 pt -82.23 -24.48 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.352 1.461 . . . . 0.0 114.006 -172.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 76.91 0.08 68.01 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.144 1.354 . . . . 0.0 114.942 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.4 -30.88 70.83 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.942 1.697 . . . . 0.0 113.519 -174.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.14 -8.02 53.92 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 113.015 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -128.08 8.1 6.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.511 1.924 . . . . 0.0 112.616 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.64 -140.06 0.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.454 1.901 . . . . 0.0 110.707 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.92 128.44 15.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.731 1.613 . . . . 0.0 110.529 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -163.49 -13.13 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -170.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.23 -27.87 69.35 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -169.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -90.33 -42.89 10.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 169.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 89.8 mtp -71.77 -14.17 61.92 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.452 1.101 . . . . 0.0 113.665 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -100.18 -19.3 16.49 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.438 1.495 . . . . 0.0 113.336 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -156.67 -1.54 0.12 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 117.858 2.54 . . . . 0.0 117.858 -169.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.7 p -136.59 -17.77 1.47 Allowed 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 121.695 2.043 . . . . 0.0 116.289 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 2.8 p -124.89 5.32 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.654 1.182 . . . . 0.0 112.558 169.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -60.59 -42.62 97.09 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.218 1.007 . . . . 0.0 112.402 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 27.3 m -75.47 -47.24 28.05 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.011 1.325 . . . . 0.0 110.854 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.9 m -65.8 -35.29 80.27 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.423 0.689 . . . . 0.0 112.858 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.92 -43.27 75.51 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.338 1.055 . . . . 0.0 111.145 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.47 -37.25 77.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.947 0.899 . . . . 0.0 112.336 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.95 -40.4 72.02 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.526 -0.734 . . . . 0.0 112.393 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.06 89.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.313 0.645 . . . . 0.0 111.738 173.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.31 -45.82 92.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.362 0.665 . . . . 0.0 111.567 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.55 -44.42 97.07 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 112.235 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.36 90.36 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -68.49 -38.75 81.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.664 0.785 . . . . 0.0 112.227 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.4 -40.18 85.6 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -66.16 -36.83 84.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.738 0.815 . . . . 0.0 112.419 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.91 -31.63 72.96 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 173.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -81.37 -30.14 33.8 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.626 0.77 . . . . 0.0 112.512 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -67.1 -37.82 84.61 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.385 -0.822 . . . . 0.0 111.299 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.74 69.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.096 0.958 . . . . 0.0 113.376 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -71.97 -28.44 63.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.507 0.723 . . . . 0.0 111.465 174.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -79.69 -31.81 41.32 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.36 -0.837 . . . . 0.0 111.73 172.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 44.3 mmm-85 -64.37 -38.21 90.25 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.019 0.827 . . . . 0.0 111.262 169.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -66.7 -13.52 61.39 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.56 -5.22 59.2 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.181 1.393 . . . . 0.0 112.862 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -77.47 44.86 0.45 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.086 1.354 . . . . 0.0 112.913 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 13.8 mt -78.34 62.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.831 1.652 . . . . 0.0 108.678 173.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -162.7 -36.74 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.133 2.173 . . . . 0.0 111.857 -169.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.1 p -81.39 -33.51 32.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.256 1.023 . . . . 0.0 112.208 173.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -81.81 -17.98 45.61 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.356 1.062 . . . . 0.0 113.006 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 19.7 tp -97.14 49.06 1.05 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.189 1.796 . . . . 0.0 110.236 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 65.2 tp -158.8 132.58 7.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.692 1.997 . . . . 0.0 109.294 -170.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.92 36.15 0.69 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.389 1.876 . . . . 0.0 110.848 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -135.98 10.47 3.33 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.147 1.779 . . . . 0.0 113.232 -169.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -61.9 -28.2 69.35 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 -169.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -139.35 -0.52 1.79 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.397 1.479 . . . . 0.0 114.256 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -81.73 -9.34 59.66 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.956 2.102 . . . . 0.0 114.489 -169.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . 0.256 34.6 p80 53.47 30.88 11.23 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 127.367 2.267 . . . . 0.0 116.666 170.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.687 1.595 . . . . 0.0 113.56 173.602 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 62.3 ttp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.78 131.98 5.08 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 125.06 1.314 . . . . 0.0 111.6 -174.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -142.87 -15.9 0.7 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.92 -25.56 37.44 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.441 1.02 . . . . 0.0 114.382 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.8 t70 69.98 134.47 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 129.271 3.028 . . . . 0.0 113.882 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.7 mt -87.93 -10.59 50.1 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -169.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -89.97 -10.3 45.55 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.218 1.007 . . . . 0.0 112.99 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.4 m -113.64 49.89 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 127.13 2.172 . . . . 0.0 110.517 173.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -107.02 24.21 13.17 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.208 2.203 . . . . 0.0 108.914 171.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp 72.11 19.44 4.56 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.601 2.36 . . . . 0.0 113.168 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -157.18 132.94 9.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.624 1.569 . . . . 0.0 109.47 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.2 m -139.49 22.4 2.53 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.112 1.365 . . . . 0.0 111.857 -172.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -161.82 131.41 4.63 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.919 1.688 . . . . 0.0 111.239 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -167.71 139.5 3.07 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.951 2.5 . . . . 0.0 109.943 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.265 36.6 mt-10 -115.2 26.65 9.95 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -173.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.15 5.22 10.61 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.2 167.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.04 -13.2 61.17 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.896 1.278 . . . . 0.0 111.957 174.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -53.11 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 125.848 1.659 . . . . 0.0 109.885 -178.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.55 35.0 26.95 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.288 0.947 . . . . 0.0 112.951 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.5 -24.68 61.11 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.661 1.584 . . . . 0.0 115.102 -170.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.3 -17.28 64.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.842 1.657 . . . . 0.0 112.728 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -126.02 14.65 7.92 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.156 1.782 . . . . 0.0 112.982 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.34 -9.3 59.77 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.793 1.237 . . . . 0.0 113.893 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -160.29 156.53 26.53 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.781 2.032 . . . . 0.0 110.991 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -138.42 -1.59 1.88 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.679 1.362 . . . . 0.0 114.679 -169.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.95 -19.76 61.85 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.642 -1.286 . . . . 0.0 113.58 -175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.96 -22.97 44.87 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.934 0.894 . . . . 0.0 112.56 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 12.3 tpt -73.92 -38.93 64.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.101 -1.0 . . . . 0.0 110.863 174.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -55.41 -30.85 61.21 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.945 1.298 . . . . 0.0 112.796 172.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -87.5 -36.18 17.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.84 1.256 . . . . 0.0 111.283 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.4 m -73.98 -32.85 63.62 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.65 -14.8 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 120.922 -1.111 . . . . 0.0 113.057 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -82.8 -10.83 58.68 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.684 1.194 . . . . 0.0 112.949 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 41.6 p -129.03 -43.6 1.33 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.322 1.449 . . . . 0.0 113.023 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 89.7 p -66.62 -22.8 66.11 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.7 tp -67.29 -28.45 68.02 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.321 1.048 . . . . 0.0 112.489 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.43 -32.48 42.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.988 0.915 . . . . 0.0 111.992 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.7 -38.79 67.4 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.602 -0.686 . . . . 0.0 111.569 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.5 91.41 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.61 0.764 . . . . 0.0 112.17 170.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.6 -48.13 78.61 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.08 0.952 . . . . 0.0 111.68 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.39 -45.77 84.15 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.77 0.828 . . . . 0.0 112.003 176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.31 75.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.513 0.725 . . . . 0.0 112.727 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -72.67 -29.63 63.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.32 -36.24 58.38 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.149 0.886 . . . . 0.0 111.909 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.4 -39.3 81.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.371 0.987 . . . . 0.0 112.239 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.28 -24.77 67.78 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.47 -43.76 12.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.166 0.987 . . . . 0.0 111.328 172.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -62.92 -33.49 75.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.147 0.979 . . . . 0.0 112.38 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.45 -26.91 68.18 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -87.85 -28.32 21.68 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.925 1.29 . . . . 0.0 112.367 175.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -88.75 -31.6 18.33 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.649 1.58 . . . . 0.0 112.895 -172.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -67.6 -7.71 28.54 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.469 1.508 . . . . 0.0 113.998 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -69.88 -14.12 62.59 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -73.01 133.0 44.1 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.95 0.9 . . . . 0.0 110.701 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -91.98 3.89 54.22 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -169.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.08 -5.18 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -174.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -108.34 -1.38 20.06 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.231 2.212 . . . . 0.0 113.75 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.3 t -62.84 -33.41 75.2 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -68.53 -23.92 64.59 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.721 0.808 . . . . 0.0 112.677 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.74 -0.16 54.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.86 1.264 . . . . 0.0 112.315 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 88.7 mt -130.37 16.9 5.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.568 1.947 . . . . 0.0 112.47 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -116.83 84.05 2.08 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.528 1.531 . . . . 0.0 108.601 -175.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -136.01 15.87 3.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.723 1.609 . . . . 0.0 112.28 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -157.16 -179.3 8.07 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.875 2.07 . . . . 0.0 112.558 -169.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -151.64 172.51 15.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.709 1.603 . . . . 0.0 112.926 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -84.75 14.0 5.19 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.369 1.467 . . . . 0.0 114.599 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 71.92 13.51 6.0 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.222 2.209 . . . . 0.0 114.779 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 60.0 t60 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 128.647 2.779 . . . . 0.0 113.446 176.514 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 176.15 -139.73 4.73 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.791 1.186 . . . . 0.0 112.419 178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -178.34 -49.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.785 2.434 . . . . 0.0 111.176 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -116.47 38.31 3.08 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 126.162 1.839 . . . . 0.0 113.312 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.17 123.76 18.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.321 1.848 . . . . 0.0 112.278 -174.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.2 mt -145.26 -13.67 0.52 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.729 1.612 . . . . 0.0 114.274 -173.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 62.47 25.33 15.1 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.19 1.796 . . . . 0.0 113.97 174.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 m -70.23 97.08 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.827 2.051 . . . . 0.0 111.617 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 69.77 34.72 2.55 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.698 2.399 . . . . 0.0 109.472 -172.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.74 13.68 8.91 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.769 2.427 . . . . 0.0 112.37 -169.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 68.7 -176.62 0.21 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.313 2.245 . . . . 0.0 113.981 174.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.0 m -142.08 128.33 19.86 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.135 2.174 . . . . 0.0 107.515 -175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -140.1 128.1 22.17 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.19 2.196 . . . . 0.0 108.489 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 86.26 150.98 0.07 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 130.043 3.337 . . . . 0.0 111.642 -171.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.452 ' C ' ' H ' ' A' ' 116' ' ' GLU . 13.2 pt-20 -161.46 147.44 14.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.598 1.959 . . . . 0.0 110.763 -176.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.8 t70 63.85 -27.44 0.08 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.937 2.495 . . . . 0.0 113.62 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 114' ' ' GLU . 22.6 tt0 -111.39 36.36 3.25 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 128.201 2.601 . . . . 0.0 110.261 172.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 117' ' ' ILE . 5.6 tp -138.97 149.33 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 127.264 2.225 . . . . 0.0 110.584 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -75.37 56.42 2.86 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.357 1.932 . . . . 0.0 112.126 170.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -47.12 -32.15 4.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.917 2.087 . . . . 0.0 114.759 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.5 mt -131.23 108.73 9.9 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.835 1.654 . . . . 0.0 108.28 169.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -85.42 120.0 26.4 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.418 0.687 . . . . 0.0 112.237 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -151.94 7.66 0.47 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.249 1.42 . . . . 0.0 113.778 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -166.52 162.67 16.88 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.396 1.878 . . . . 0.0 111.458 -173.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -141.03 -1.56 1.37 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.303 1.441 . . . . 0.0 113.607 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -70.77 -22.38 62.39 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.127 -0.983 . . . . 0.0 112.997 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.32 -41.57 76.54 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.004 0.922 . . . . 0.0 111.256 172.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 58.8 mtt -63.37 -32.88 74.42 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.879 0.872 . . . . 0.0 111.31 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -69.06 -11.44 60.79 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.794 1.638 . . . . 0.0 113.466 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -83.43 -54.53 4.9 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.82 1.191 . . . . 0.0 110.315 173.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.4 m -65.09 -29.19 70.05 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -169.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.54 -14.73 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -101.35 -18.95 15.82 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.533 1.133 . . . . 0.0 113.475 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 37.0 m -56.37 -53.88 52.18 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.006 1.322 . . . . 0.0 111.791 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.4 m -80.4 -30.2 37.76 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.9 tp -69.52 -41.46 75.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.895 0.878 . . . . 0.0 112.187 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.46 -30.33 64.47 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.922 0.889 . . . . 0.0 112.004 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.62 -40.1 66.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.753 0.706 . . . . 0.0 112.149 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.34 95.02 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.696 0.799 . . . . 0.0 111.778 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.22 -47.07 87.78 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.985 0.914 . . . . 0.0 111.665 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.04 -46.43 88.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.829 0.852 . . . . 0.0 112.003 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.89 96.17 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.488 0.715 . . . . 0.0 112.56 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -62.55 -44.37 96.5 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.123 0.969 . . . . 0.0 112.099 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.91 -46.49 71.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.522 0.729 . . . . 0.0 111.519 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.23 -41.17 92.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.402 1.081 . . . . 0.0 112.581 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.26 76.18 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -86.8 -28.94 22.66 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -83.3 -21.05 33.34 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.861 1.264 . . . . 0.0 113.767 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.68 87.85 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.418 -1.426 . . . . 0.0 112.756 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.15 -19.22 61.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.293 1.037 . . . . 0.0 113.131 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -81.38 -38.71 26.16 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.934 0.788 . . . . 0.0 111.431 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -74.86 -23.47 58.42 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.224 1.41 . . . . 0.0 113.427 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -55.9 -21.24 19.29 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.08 5.75 49.07 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 67.63 24.91 8.37 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.65 1.98 . . . . 0.0 113.622 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 9.1 tp -61.73 132.23 27.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 O-C-N 120.942 -1.099 . . . . 0.0 110.323 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 43.1 t30 70.66 2.28 4.06 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.616 1.966 . . . . 0.0 115.095 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 97.4 m -61.75 -25.0 67.18 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.768 -1.208 . . . . 0.0 112.48 173.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.13 -17.73 54.33 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.221 1.409 . . . . 0.0 114.173 174.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 26.2 tp -70.82 -6.52 38.54 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.936 1.294 . . . . 0.0 113.446 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 51.8 tp -71.56 88.72 0.95 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.318 1.447 . . . . 0.0 110.754 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -164.72 127.39 2.3 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.429 2.291 . . . . 0.0 108.464 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -144.31 32.39 1.21 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.771 1.628 . . . . 0.0 111.931 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -159.08 161.42 36.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.98 2.112 . . . . 0.0 112.239 -169.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 -17.01 1.91 Allowed 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -173.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 52.59 36.04 19.61 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.177 1.791 . . . . 0.0 114.052 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -78.44 83.38 4.66 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.45 1.1 . . . . 0.0 111.902 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 28.0 p80 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 127.397 2.279 . . . . 0.0 112.795 -174.884 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.07 152.56 29.49 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.659 1.123 . . . . 0.0 111.7 -171.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.26 -35.07 0.47 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.18 1.392 . . . . 0.0 113.233 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.01 -25.48 61.99 Favored Glycine 0 N--CA 1.473 1.165 0 C-N-CA 124.142 0.877 . . . . 0.0 113.45 171.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -143.91 134.62 25.04 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.186 2.594 . . . . 0.0 109.062 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.2 mt -122.15 -30.13 4.08 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -169.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -73.05 -25.16 60.82 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.453 -0.779 . . . . 0.0 112.685 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.0 m -77.56 3.83 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.089 1.756 . . . . 0.0 113.779 -177.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.81 -45.04 94.49 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.234 1.413 . . . . 0.0 112.031 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.6 mt -139.46 -22.46 0.9 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.589 2.356 . . . . 0.0 113.314 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 70.1 115.12 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.688 2.395 . . . . 0.0 111.162 -172.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.6 p -147.27 163.74 35.42 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.075 1.75 . . . . 0.0 110.387 -169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -144.29 124.16 13.47 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 130.123 3.369 . . . . 0.0 107.073 173.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -139.75 167.01 23.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.9 2.08 . . . . 0.0 110.67 -169.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -158.18 147.21 19.27 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 128.093 2.557 . . . . 0.0 110.037 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.09 40.17 0.68 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.564 1.146 . . . . 0.0 110.79 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.78 27.06 16.85 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.348 2.259 . . . . 0.0 112.448 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.5 pt -74.98 -16.82 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 90.25 -17.17 55.21 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 126.064 1.793 . . . . 0.0 114.67 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.0 t70 63.76 -0.43 0.77 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.371 2.268 . . . . 0.0 113.615 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.5 mt -155.55 164.41 38.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.665 3.186 . . . . 0.0 109.17 -171.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -63.14 135.26 57.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.962 0.905 . . . . 0.0 112.643 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -161.81 -159.9 0.65 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.857 2.063 . . . . 0.0 109.58 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -155.43 160.15 40.41 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.962 2.105 . . . . 0.0 111.255 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -111.59 6.9 20.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.798 1.239 . . . . 0.0 113.869 -170.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -150.15 -49.99 0.13 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.034 1.333 . . . . 0.0 112.008 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -66.79 -41.97 86.78 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.178 0.591 . . . . 0.0 111.879 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 68.7 mtt -83.95 -9.66 58.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 172.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -80.92 -36.06 31.59 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.246 1.019 . . . . 0.0 112.111 175.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -145.5 -38.18 0.26 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.7 m -68.16 -40.24 82.37 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.69 1.587 . . . . 0.0 113.047 -172.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 3.6 p -171.34 103.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.194 2.198 . . . . 0.0 110.251 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -61.45 -42.24 98.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.166 0.986 . . . . 0.0 112.178 174.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 8.9 t 158.59 94.4 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 131.191 3.796 . . . . 0.0 107.607 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.9 p -172.69 -52.84 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -169.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.4 mt -89.06 -2.52 58.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -169.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -132.59 -71.17 0.54 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.841 0.746 . . . . 0.0 111.82 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -36.75 84.31 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.283 0.947 . . . . 0.0 112.839 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -82.15 -37.3 26.4 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.282 0.633 . . . . 0.0 111.718 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -47.03 85.67 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.525 0.73 . . . . 0.0 110.709 169.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -62.81 -43.44 98.79 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.557 1.143 . . . . 0.0 112.616 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.07 95.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.01 0.823 . . . . 0.0 112.491 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -64.9 -39.69 93.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.108 0.963 . . . . 0.0 112.41 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -65.7 -49.45 68.47 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.162 0.985 . . . . 0.0 111.392 176.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.55 -38.82 87.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.459 1.104 . . . . 0.0 112.653 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.1 -26.87 69.03 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -86.65 -50.0 7.11 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.96 0.904 . . . . 0.0 111.367 172.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -68.85 -43.05 76.22 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.904 0.882 . . . . 0.0 112.844 -170.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.0 -17.51 61.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -85.01 -35.02 22.22 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.923 0.889 . . . . 0.0 110.991 170.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -80.84 -35.52 32.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.826 1.25 . . . . 0.0 112.664 -172.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -82.54 -18.46 41.38 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.62 -23.41 17.64 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -162.56 134.63 5.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.839 0.856 . . . . 0.0 111.835 -174.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.97 99.81 12.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.357 1.063 . . . . 0.0 109.031 170.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 48.1 pt -80.77 18.43 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.276 1.43 . . . . 0.0 112.938 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 63.27 31.79 15.2 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.724 2.009 . . . . 0.0 111.834 -169.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.8 t -53.14 -35.14 59.39 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.753 1.621 . . . . 0.0 114.799 -169.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -71.79 -17.76 62.15 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 67.6 mt -101.95 -0.61 33.55 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.982 1.713 . . . . 0.0 112.835 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 81.0 mt -80.5 90.57 5.68 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.834 1.254 . . . . 0.0 109.111 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -139.65 106.07 5.3 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.678 1.591 . . . . 0.0 108.776 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -140.15 7.85 2.24 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.192 1.397 . . . . 0.0 112.951 -178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -163.83 164.49 23.52 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.297 2.639 . . . . 0.0 110.311 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -147.28 147.05 29.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.213 1.005 . . . . 0.0 113.543 -176.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -82.68 45.74 1.01 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.675 1.99 . . . . 0.0 113.484 -174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -71.94 -9.2 58.02 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 127.533 2.333 . . . . 0.0 111.572 -179.244 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 168.14 145.24 4.47 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.225 1.393 . . . . 0.0 112.047 -176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -156.22 149.29 24.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.462 1.905 . . . . 0.0 111.368 -177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.98 21.51 35.76 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 124.786 1.184 . . . . 0.0 114.535 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.65 139.29 57.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.305 1.442 . . . . 0.0 112.228 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.0 39.67 13.06 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.432 1.493 . . . . 0.0 111.873 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -150.15 -34.89 0.17 Allowed 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -175.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.3 m -116.56 107.28 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.233 1.413 . . . . 0.0 110.07 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -166.91 -55.47 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 127.691 2.396 . . . . 0.0 109.198 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 tp -161.46 -5.05 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.057 1.743 . . . . 0.0 114.635 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -84.7 82.95 8.2 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.1 -1.0 . . . . 0.0 111.264 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.1 p -152.75 127.61 9.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 127.848 2.459 . . . . 0.0 108.434 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 63.0 ttt-85 -141.13 -121.55 0.11 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.846 1.259 . . . . 0.0 111.237 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . 0.252 5.9 ptt180 73.97 159.76 0.22 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 128.137 2.575 . . . . 0.0 111.292 -169.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -44.99 131.36 7.32 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.401 1.881 . . . . 0.0 113.784 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -100.32 27.93 5.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.933 1.693 . . . . 0.0 111.25 173.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 73.66 18.6 3.44 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.905 2.082 . . . . 0.0 111.914 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.3 pt -82.32 -19.94 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.736 1.614 . . . . 0.0 113.778 -173.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.91 -11.48 47.6 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.857 1.694 . . . . 0.0 114.838 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t70 55.54 38.1 29.77 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.495 1.918 . . . . 0.0 112.746 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 tt 67.86 82.36 0.18 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.545 2.338 . . . . 0.0 110.694 -170.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -66.26 144.5 56.56 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.598 1.159 . . . . 0.0 113.481 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.6 85.4 7.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.776 1.231 . . . . 0.0 111.665 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.87 114.38 21.14 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.589 1.156 . . . . 0.0 111.618 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -157.02 35.69 0.29 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.582 1.953 . . . . 0.0 110.93 174.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -60.63 -24.78 65.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.22 1.408 . . . . 0.0 114.547 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.54 -40.6 80.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.549 0.74 . . . . 0.0 111.17 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 35.9 mmt -73.65 -27.3 61.19 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.674 0.79 . . . . 0.0 111.97 174.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 -73.52 -12.07 60.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 169.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -107.51 -34.9 6.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.763 1.625 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 97.3 p -66.78 -18.2 65.26 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.555 -1.34 . . . . 0.0 113.95 -176.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 35.7 m -84.96 -5.01 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.8 1.64 . . . . 0.0 113.577 173.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -98.75 -28.15 13.63 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.401 1.081 . . . . 0.0 113.158 -174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 32.0 p -70.15 -51.6 30.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.848 1.259 . . . . 0.0 112.275 -169.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 55.6 p -70.58 -28.29 64.76 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.757 0.823 . . . . 0.0 112.893 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.01 -43.7 70.84 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.573 1.149 . . . . 0.0 110.538 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.98 -33.89 72.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.928 0.891 . . . . 0.0 112.279 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.44 -39.93 74.05 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.528 -0.733 . . . . 0.0 112.498 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.02 90.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.503 0.721 . . . . 0.0 111.727 173.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.57 -46.01 90.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.777 0.831 . . . . 0.0 111.596 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -61.52 -43.21 99.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.045 0.938 . . . . 0.0 112.31 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.21 90.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.599 0.76 . . . . 0.0 112.735 177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -68.52 -35.96 78.19 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.519 0.728 . . . . 0.0 112.623 177.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.91 -43.4 79.32 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.502 0.721 . . . . 0.0 111.259 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.98 -41.37 97.55 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.353 -0.842 . . . . 0.0 112.07 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.08 -25.74 68.24 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -86.51 -38.68 16.99 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.281 1.432 . . . . 0.0 112.026 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -83.64 -21.03 32.6 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.678 1.591 . . . . 0.0 114.313 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.28 -31.1 68.8 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 120.551 1.523 . . . . 0.0 114.098 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -73.87 -21.17 60.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.18 0.992 . . . . 0.0 112.574 172.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -88.48 -29.3 20.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.276 1.43 . . . . 0.0 111.536 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -62.61 -28.04 69.62 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.937 1.295 . . . . 0.0 112.663 169.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.41 -22.72 61.83 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.402 1.081 . . . . 0.0 113.913 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 69.13 168.87 0.29 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.027 2.531 . . . . 0.0 114.833 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -79.34 -3.9 48.38 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.706 2.002 . . . . 0.0 114.666 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 22.9 pt -60.28 98.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 126.647 1.979 . . . . 0.0 113.219 -169.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 48.3 t30 64.21 -1.98 0.65 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 127.257 2.223 . . . . 0.0 114.633 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 28.9 p -84.68 -61.74 1.71 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.999 1.719 . . . . 0.0 110.498 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -84.67 -27.21 27.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.078 1.351 . . . . 0.0 112.479 172.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.87 0.8 14.39 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 58.6 tp -150.63 114.49 5.01 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.715 1.206 . . . . 0.0 110.926 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.16 3.12 3.65 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.289 1.435 . . . . 0.0 112.962 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 68.69 125.88 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.98 2.912 . . . . 0.0 115.576 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -147.24 147.54 30.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.774 2.03 . . . . 0.0 110.731 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.34 151.47 34.92 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.866 0.866 . . . . 0.0 113.012 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -103.82 30.31 5.2 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.688 1.595 . . . . 0.0 112.237 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -71.04 1.99 5.02 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.838 1.655 . . . . 0.0 115.436 -174.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 65.3 t60 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.778 2.031 . . . . 0.0 111.702 -175.198 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.26 20.5 35.17 Favored Glycine 0 N--CA 1.477 1.373 0 C-N-CA 125.497 1.522 . . . . 0.0 115.118 -173.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -153.03 152.32 31.24 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.474 1.51 . . . . 0.0 111.854 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.32 -34.73 3.04 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 125.511 1.529 . . . . 0.0 114.451 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.38 141.9 45.09 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.542 1.537 . . . . 0.0 112.735 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.6 14.69 4.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.925 1.69 . . . . 0.0 112.679 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -76.82 57.3 1.28 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.269 1.828 . . . . 0.0 112.431 -177.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.76 112.53 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 126.412 1.885 . . . . 0.0 109.627 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 177.9 -56.17 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 128.715 2.806 . . . . 0.0 108.195 -173.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.37 -9.94 2.88 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.997 2.119 . . . . 0.0 112.86 171.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 61.95 -122.48 0.75 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.087 1.355 . . . . 0.0 110.49 170.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.1 m -153.03 114.58 4.25 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 127.647 2.379 . . . . 0.0 105.581 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -150.98 144.37 24.87 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.891 2.076 . . . . 0.0 109.245 -169.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 55.4 mmm-85 -63.84 -41.75 97.74 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.624 1.57 . . . . 0.0 112.818 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.67 159.8 19.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.619 1.568 . . . . 0.0 113.57 175.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -138.78 26.86 2.48 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.139 2.176 . . . . 0.0 109.995 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 65.64 40.78 4.31 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.463 2.305 . . . . 0.0 111.475 -174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.7 tp -139.76 -39.82 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 70.26 32.32 68.74 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.741 1.162 . . . . 0.0 113.758 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -71.52 89.54 0.96 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.875 1.67 . . . . 0.0 112.605 -173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.7 tp -145.38 -56.87 0.32 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.767 2.027 . . . . 0.0 109.744 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -133.47 13.37 4.14 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.9 1.68 . . . . 0.0 113.212 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.6 95.68 5.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.899 1.679 . . . . 0.0 110.866 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.94 152.41 38.61 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.946 1.698 . . . . 0.0 112.093 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -65.21 -14.31 60.34 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.2 -26.89 68.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.968 0.907 . . . . 0.0 112.395 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.34 -40.23 74.22 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.537 0.735 . . . . 0.0 110.971 173.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 64.4 mtt -66.13 -37.59 86.08 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.387 -0.821 . . . . 0.0 111.125 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -64.03 -27.5 69.15 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.077 1.351 . . . . 0.0 113.375 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -99.05 -17.13 18.4 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.8 m -73.77 -16.8 61.16 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.626 -1.296 . . . . 0.0 113.558 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 32.3 m -90.65 6.82 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 125.736 1.615 . . . . 0.0 113.536 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -12.34 11.05 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -169.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.8 t -90.77 -23.1 20.75 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.303 1.441 . . . . 0.0 113.462 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 61.6 p -110.33 -33.35 6.66 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -169.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.85 -24.97 64.42 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.518 1.053 . . . . 0.0 113.265 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -84.27 -21.01 31.24 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.13 0.972 . . . . 0.0 113.021 173.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -80.44 -38.51 29.94 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.629 0.772 . . . . 0.0 111.147 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.94 98.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.503 0.721 . . . . 0.0 111.379 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.42 -45.1 94.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.639 0.775 . . . . 0.0 111.829 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -59.89 -42.79 94.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.569 0.747 . . . . 0.0 112.386 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.39 86.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -68.5 -33.4 74.09 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.51 0.724 . . . . 0.0 112.749 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.36 -43.26 67.26 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.03 0.932 . . . . 0.0 111.393 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.86 -37.74 88.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.856 0.862 . . . . 0.0 112.418 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.66 -27.42 69.22 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -86.6 -43.05 12.98 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.343 1.057 . . . . 0.0 112.156 171.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.32 -24.86 64.88 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.983 0.913 . . . . 0.0 112.286 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.09 -23.56 55.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.83 1.252 . . . . 0.0 113.811 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -87.57 -22.41 24.81 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.922 0.889 . . . . 0.0 112.266 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -88.78 -34.67 17.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.938 1.295 . . . . 0.0 112.245 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -76.04 -7.32 54.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.574 1.55 . . . . 0.0 114.434 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.46 -9.91 51.91 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -78.38 114.63 17.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.214 1.006 . . . . 0.0 110.341 174.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -150.63 17.54 0.8 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.544 1.138 . . . . 0.0 113.914 -173.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 20.3 tt -58.38 -24.29 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.921 -1.112 . . . . 0.0 113.303 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -56.75 -21.48 28.62 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.7 1.2 . . . . 0.0 113.586 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 82.6 p -68.84 -24.92 64.42 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.775 1.23 . . . . 0.0 113.523 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.45 -18.01 37.32 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.381 1.072 . . . . 0.0 112.956 172.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 10.8 mp -104.39 -0.1 28.44 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.986 1.715 . . . . 0.0 113.406 -172.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -155.14 127.49 7.81 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.619 1.567 . . . . 0.0 109.505 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -150.46 121.02 7.44 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.378 1.871 . . . . 0.0 108.221 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.32 10.73 2.3 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -173.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -79.6 38.76 0.39 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.534 1.934 . . . . 0.0 113.378 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -53.73 129.67 34.07 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.845 1.658 . . . . 0.0 112.853 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 67.45 5.35 4.25 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.925 2.09 . . . . 0.0 114.813 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . 0.267 23.1 p80 57.48 1.31 0.11 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 129.617 3.167 . . . . 0.0 118.186 174.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 128.061 2.544 . . . . 0.0 113.847 171.732 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 166.58 -52.38 0.25 Allowed Glycine 0 N--CA 1.472 1.035 0 C-N-CA 124.51 1.052 . . . . 0.0 113.315 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -164.18 141.99 7.02 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.929 1.691 . . . . 0.0 111.008 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.65 40.08 3.02 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.318 1.437 . . . . 0.0 115.002 -171.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -93.18 142.58 27.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.958 1.303 . . . . 0.0 112.614 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.22 -3.11 48.26 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.305 1.442 . . . . 0.0 113.892 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 71.42 2.94 4.47 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 128.12 2.568 . . . . 0.0 113.755 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.02 7.12 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 129.064 2.945 . . . . 0.0 113.604 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -58.46 -29.21 66.01 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.208 1.803 . . . . 0.0 113.322 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.56 -43.29 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.528 1.931 . . . . 0.0 111.27 -169.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -91.07 112.77 24.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.787 0.803 . . . . 0.0 112.21 -171.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.0 m -161.69 111.87 1.62 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 127.446 2.298 . . . . 0.0 106.69 169.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -164.22 30.78 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.968 1.307 . . . . 0.0 113.034 -169.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -147.77 113.31 5.65 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.315 1.446 . . . . 0.0 110.94 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -174.85 144.43 0.8 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.383 2.273 . . . . 0.0 110.093 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t70 66.71 -41.66 0.39 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 128.714 2.805 . . . . 0.0 114.138 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -67.34 -9.66 43.34 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.857 2.063 . . . . 0.0 112.049 169.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.9 pt -62.58 -19.18 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 127.115 2.166 . . . . 0.0 114.174 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 110.11 7.79 26.41 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 126.034 1.778 . . . . 0.0 114.578 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.5 t70 67.0 -66.38 0.19 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.963 2.905 . . . . 0.0 113.809 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 86.9 mt -145.06 0.56 0.94 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.717 2.007 . . . . 0.0 113.052 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -139.52 163.52 32.32 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.61 1.164 . . . . 0.0 113.855 -169.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -153.14 -145.5 0.17 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.677 1.991 . . . . 0.0 110.116 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -155.47 158.18 38.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.671 1.588 . . . . 0.0 112.206 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -105.08 -7.33 19.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.823 1.249 . . . . 0.0 113.769 -175.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.57 -37.67 85.43 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.398 -0.814 . . . . 0.0 111.933 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.72 -34.25 75.32 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.483 0.713 . . . . 0.0 112.145 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.5 mmt -65.24 -46.38 80.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.7 0.8 . . . . 0.0 110.702 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -70.53 -2.2 13.34 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.846 1.658 . . . . 0.0 113.967 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -122.79 -30.88 3.77 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.348 1.059 . . . . 0.0 113.221 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.7 m -111.27 -8.05 14.38 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.86 37.16 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 125.138 1.375 . . . . 0.0 110.381 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -65.56 -9.35 25.8 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 28.5 m -132.2 -45.36 0.93 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.648 1.179 . . . . 0.0 112.96 -172.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.5 p -84.26 -10.43 57.68 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.83 -42.34 93.32 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.943 0.792 . . . . 0.0 112.388 -176.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.37 -29.1 62.41 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.02 -41.69 28.3 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.566 0.746 . . . . 0.0 111.185 175.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.38 94.26 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.151 0.58 . . . . 0.0 111.69 171.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.44 -47.78 80.49 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.379 1.072 . . . . 0.0 111.309 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -56.86 -46.66 81.65 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.248 0.931 . . . . 0.0 112.331 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.94 80.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.574 0.749 . . . . 0.0 112.719 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.32 -42.58 96.24 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.489 0.716 . . . . 0.0 112.185 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -67.0 -38.26 85.67 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.111 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.74 -42.3 82.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.6 1.545 . . . . 0.0 112.099 172.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.48 -26.37 68.41 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.13 -38.77 18.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.535 1.134 . . . . 0.0 111.776 170.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.31 -21.22 66.53 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.054 0.941 . . . . 0.0 112.025 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.68 62.77 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.98 0.912 . . . . 0.0 112.937 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -88.01 -35.83 17.36 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.072 0.949 . . . . 0.0 111.846 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -67.2 -33.8 76.14 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.69 -1.257 . . . . 0.0 112.548 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -74.95 -17.12 60.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.185 0.994 . . . . 0.0 113.15 174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.98 -21.73 18.41 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.914 1.286 . . . . 0.0 113.832 171.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 78.68 143.91 0.08 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 129.906 3.283 . . . . 0.0 111.13 -169.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -61.31 -12.31 13.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.201 1.401 . . . . 0.0 114.78 -170.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.13 -15.94 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.119 -0.988 . . . . 0.0 113.302 169.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -78.81 -18.48 54.0 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 171.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.9 p -84.83 -27.83 26.49 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.185 1.394 . . . . 0.0 112.451 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -70.87 -17.87 62.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.954 1.301 . . . . 0.0 112.948 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.01 -7.96 0.91 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.263 1.825 . . . . 0.0 115.392 -176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 79.5 mt -79.76 -12.56 59.78 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.315 1.446 . . . . 0.0 113.284 171.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -157.19 9.08 0.19 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -71.15 -11.43 60.94 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -151.83 164.57 36.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.342 1.457 . . . . 0.0 114.188 -172.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -162.38 -31.35 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 128.236 2.614 . . . . 0.0 111.896 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -151.74 133.0 14.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.498 2.719 . . . . 0.0 108.718 169.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -71.89 93.34 1.33 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.933 0.893 . . . . 0.0 112.248 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 74.3 t60 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.906 2.082 . . . . 0.0 111.64 -178.88 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.1 ppp? . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.42 142.39 12.69 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.295 1.426 . . . . 0.0 112.526 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -163.08 141.86 8.42 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.241 1.817 . . . . 0.0 111.069 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.63 111.56 2.58 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.168 1.366 . . . . 0.0 111.897 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -161.33 142.93 11.69 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.167 1.787 . . . . 0.0 110.889 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -153.39 0.69 0.25 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.684 1.594 . . . . 0.0 114.527 -174.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -76.57 -40.73 48.83 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.949 0.795 . . . . 0.0 112.264 -174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.55 79.63 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-O 122.987 1.375 . . . . 0.0 110.004 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -168.79 -58.77 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.502 1.921 . . . . 0.0 109.47 -171.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.5 mt -146.4 -6.36 0.55 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.988 2.115 . . . . 0.0 113.952 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 74.4 126.58 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.08 2.552 . . . . 0.0 112.07 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.2 m -83.07 92.58 7.42 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.644 1.178 . . . . 0.0 108.509 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -111.4 -1.23 16.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.653 1.581 . . . . 0.0 114.634 -173.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -69.15 -54.68 13.62 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.742 1.217 . . . . 0.0 111.013 175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -170.69 144.95 2.4 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.53 2.332 . . . . 0.0 109.284 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -157.66 44.36 0.34 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.323 1.449 . . . . 0.0 110.335 -176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 62.68 37.81 12.48 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.754 1.621 . . . . 0.0 111.762 -173.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.4 HD12 ' H ' ' A' ' 119' ' ' ASP . 1.4 pp -76.52 1.28 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -170.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.12 11.49 78.5 Favored Glycine 0 N--CA 1.474 1.208 0 C-N-CA 125.293 1.425 . . . . 0.0 115.394 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.4 ' H ' HD12 ' A' ' 117' ' ' ILE . 23.5 t70 71.23 -35.32 0.33 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 129.259 3.023 . . . . 0.0 114.001 -176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.1 mt -144.02 131.88 21.46 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.421 2.288 . . . . 0.0 109.015 174.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -72.76 146.19 46.55 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.61 69.25 8.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.761 1.625 . . . . 0.0 112.495 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.14 129.17 34.85 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.711 1.204 . . . . 0.0 111.897 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -142.97 10.65 1.77 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.598 1.559 . . . . 0.0 113.231 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.63 -22.47 64.42 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.953 -1.092 . . . . 0.0 113.505 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -72.26 -42.42 65.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.596 0.758 . . . . 0.0 110.94 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 96.6 mmm -68.5 -15.6 63.6 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.351 -0.843 . . . . 0.0 113.024 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -79.63 -12.44 59.83 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.388 1.475 . . . . 0.0 112.998 172.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -128.62 -13.02 4.85 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 86.8 p -60.37 -26.71 66.83 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.57 -1.332 . . . . 0.0 113.599 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.67 -24.14 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.765 1.226 . . . . 0.0 113.266 173.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -92.17 -28.36 17.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.996 1.318 . . . . 0.0 112.054 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 82.6 m -93.46 -35.15 13.11 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.721 1.208 . . . . 0.0 112.881 -172.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 37.4 p -64.61 -27.07 68.69 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.7 tp -72.18 -34.36 68.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.88 0.872 . . . . 0.0 112.033 173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -79.03 -29.76 43.75 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.778 0.831 . . . . 0.0 111.844 174.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.91 -38.5 76.3 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.367 -0.833 . . . . 0.0 112.07 172.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.23 93.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.731 0.812 . . . . 0.0 111.873 171.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.05 -48.22 80.75 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.598 0.759 . . . . 0.0 111.554 171.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -65.36 -31.63 72.85 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 177.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.12 79.06 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.565 1.075 . . . . 0.0 112.242 173.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -68.38 -35.29 77.48 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -64.94 -48.91 72.39 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.49 0.716 . . . . 0.0 111.066 170.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.62 -36.76 76.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.089 0.955 . . . . 0.0 112.541 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.92 -26.02 67.41 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 174.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -87.42 -28.47 22.1 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.917 0.887 . . . . 0.0 112.303 173.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -82.86 -33.53 27.0 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.338 1.055 . . . . 0.0 113.287 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.91 -26.2 68.21 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.364 1.065 . . . . 0.0 113.52 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -87.38 -19.15 28.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.907 1.283 . . . . 0.0 113.083 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.63 -40.32 13.41 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.212 1.005 . . . . 0.0 112.535 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -70.32 -8.98 54.71 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.05 -13.34 61.95 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.221 1.408 . . . . 0.0 113.886 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -76.69 109.4 10.43 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.053 0.941 . . . . 0.0 110.438 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -163.95 130.24 3.12 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.08 1.752 . . . . 0.0 110.082 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 20.6 tt -160.93 -39.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.364 1.866 . . . . 0.0 110.951 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.31 -24.02 64.66 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.564 1.145 . . . . 0.0 113.505 175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.4 m -69.31 -21.69 63.83 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.704 0.802 . . . . 0.0 112.998 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -74.68 -22.57 58.8 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.063 0.847 . . . . 0.0 113.108 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.4 tp -165.12 117.57 1.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.714 1.606 . . . . 0.0 110.447 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.09 -38.59 89.44 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.04 1.336 . . . . 0.0 113.421 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 74.57 51.55 0.09 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.359 2.264 . . . . 0.0 109.727 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -153.6 138.46 17.12 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.773 1.229 . . . . 0.0 112.476 -176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -141.23 104.21 4.58 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.04 2.136 . . . . 0.0 110.37 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -79.23 119.89 22.94 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.22 1.008 . . . . 0.0 113.638 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 50.0 m80 63.1 15.08 8.2 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.165 1.786 . . . . 0.0 115.441 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -86.06 42.05 0.96 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.673 1.589 . . . . 0.0 112.972 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 58.0 m80 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 126.611 1.965 . . . . 0.0 113.303 179.413 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.87 -146.42 5.26 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 125.491 1.519 . . . . 0.0 112.375 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.0 t70 72.05 148.97 0.09 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 128.592 2.757 . . . . 0.0 114.416 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.5 71.52 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.831 1.205 . . . . 0.0 113.15 174.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -158.44 126.42 5.21 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.354 1.462 . . . . 0.0 111.368 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.3 mt -139.94 2.09 1.91 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.232 1.813 . . . . 0.0 113.084 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -96.49 6.14 49.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.189 1.396 . . . . 0.0 114.005 -169.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.251 9.2 p -137.58 44.83 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 123.996 1.855 . . . . 0.0 111.323 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -94.13 5.02 53.05 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.797 2.039 . . . . 0.0 108.894 169.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.0 tp 63.85 48.67 3.1 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.107 2.563 . . . . 0.0 111.281 -175.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.47 127.68 25.95 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.89 172.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.7 t -159.85 -154.65 0.41 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.811 1.644 . . . . 0.0 110.236 -169.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -139.03 125.74 20.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.465 2.706 . . . . 0.0 108.277 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -142.93 23.36 1.9 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 74.54 119.89 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.719 2.408 . . . . 0.0 114.426 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -91.21 -14.46 30.97 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.02 1.328 . . . . 0.0 110.085 168.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -90.13 6.82 40.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.658 1.983 . . . . 0.0 113.157 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.9 pt -43.42 -25.97 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 131.86 20.53 1.06 Allowed Glycine 0 N--CA 1.472 1.079 0 C-N-CA 125.089 1.328 . . . . 0.0 114.962 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.28 -19.16 61.43 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 118.705 1.252 . . . . 0.0 113.503 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.0 tp -101.23 -1.2 34.33 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.656 2.382 . . . . 0.0 112.534 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -66.78 142.49 57.35 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.629 -1.295 . . . . 0.0 114.301 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -168.64 142.36 3.08 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.063 2.545 . . . . 0.0 108.973 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.98 146.75 24.3 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.813 1.245 . . . . 0.0 112.998 -176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -155.16 7.43 0.26 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.413 1.885 . . . . 0.0 112.469 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -63.58 -25.09 68.08 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.552 -1.343 . . . . 0.0 114.314 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -63.55 -32.62 74.13 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.21 1.004 . . . . 0.0 112.508 176.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 15.7 tpt -93.21 -29.16 15.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.771 1.229 . . . . 0.0 112.604 173.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -64.68 -15.92 62.09 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.496 0.718 . . . . 0.0 112.819 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -132.35 15.41 4.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.09 1.756 . . . . 0.0 112.281 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.6 p -62.51 -26.84 68.76 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 119.996 -1.69 . . . . 0.0 113.221 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.31 3.2 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.672 1.989 . . . . 0.0 114.288 175.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -70.46 -6.13 33.7 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.9 p -122.44 169.09 11.33 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.124 2.17 . . . . 0.0 110.756 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 50.3 m 74.13 -51.21 0.69 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.472 2.309 . . . . 0.0 113.7 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -9.76 58.92 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -177.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -111.46 -15.25 13.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.743 1.217 . . . . 0.0 111.897 169.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.2 -38.03 27.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.932 0.893 . . . . 0.0 111.486 173.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.38 84.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.847 0.859 . . . . 0.0 111.21 169.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -60.89 -49.86 75.77 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.148 0.579 . . . . 0.0 111.582 170.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -60.05 -40.14 88.38 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.575 0.75 . . . . 0.0 112.586 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.44 92.46 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.87 0.868 . . . . 0.0 112.45 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.05 -41.96 99.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.913 0.885 . . . . 0.0 111.917 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.68 -48.21 72.83 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.783 0.833 . . . . 0.0 111.615 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -60.95 -36.06 78.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.071 0.948 . . . . 0.0 112.526 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -69.29 -19.76 63.9 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -86.95 -44.14 11.85 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.01 0.823 . . . . 0.0 110.296 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -64.9 -22.7 67.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.157 0.983 . . . . 0.0 113.112 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.05 68.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.665 1.186 . . . . 0.0 113.481 173.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -87.62 -29.64 21.06 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.934 0.894 . . . . 0.0 112.245 173.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -88.56 -26.89 21.74 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -68.13 -9.77 49.09 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 172.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.9 -3.27 58.88 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.13 1.372 . . . . 0.0 114.252 173.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -72.59 132.13 43.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.351 1.061 . . . . 0.0 110.996 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -144.27 12.47 1.57 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 10.1 tp -59.97 -24.25 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 120.933 -1.104 . . . . 0.0 113.616 -177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -57.32 -18.02 15.04 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.09 1.356 . . . . 0.0 114.205 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.8 m -55.51 -31.38 62.01 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.994 1.317 . . . . 0.0 112.263 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -69.9 -17.8 63.36 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.5 pp -121.54 -5.07 9.27 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 69.7 mt -81.74 -5.41 58.12 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.735 1.214 . . . . 0.0 113.686 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -121.04 4.81 10.4 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.253 1.421 . . . . 0.0 113.964 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -67.91 -53.03 29.6 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.104 -0.997 . . . . 0.0 113.417 -177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -173.12 -102.47 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.866 2.466 . . . . 0.0 110.9 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . 0.403 ' CD2' ' H ' ' A' ' 166' ' ' HIS . 19.2 t60 -169.58 162.87 10.1 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.825 2.45 . . . . 0.0 110.846 -171.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.46 -25.55 67.56 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 121.166 -0.958 . . . . 0.0 113.27 172.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.403 ' H ' ' CD2' ' A' ' 164' ' ' HIS . 39.8 t60 56.26 48.02 18.08 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.569 1.948 . . . . 0.0 114.423 169.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.123 1.769 . . . . 0.0 112.165 -176.751 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 79.5 mtm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 134.68 145.21 5.17 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.288 1.423 . . . . 0.0 112.487 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.02 135.2 9.03 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.922 1.689 . . . . 0.0 111.241 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -113.57 60.7 0.35 Allowed Glycine 0 N--CA 1.471 0.984 0 C-N-CA 125.626 1.584 . . . . 0.0 113.296 -172.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -152.7 143.73 23.05 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.042 1.337 . . . . 0.0 111.806 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.3 mt -119.97 -0.48 10.6 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.391 1.476 . . . . 0.0 113.595 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.1 -31.99 13.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.762 1.225 . . . . 0.0 111.851 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.87 2.34 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.035 1.734 . . . . 0.0 113.505 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.42 -59.5 3.12 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.457 1.903 . . . . 0.0 111.843 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.7 mt -98.2 -14.31 20.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.544 1.937 . . . . 0.0 111.805 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 62.99 -175.83 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.694 2.398 . . . . 0.0 113.357 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.9 m -84.74 98.44 10.25 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 73.0 mtm-85 -64.86 97.43 0.22 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.094 1.758 . . . . 0.0 111.528 -171.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -150.28 130.53 13.66 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.797 2.839 . . . . 0.0 108.163 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -120.46 -51.68 2.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.567 1.147 . . . . 0.0 112.357 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 52.18 18.35 0.86 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.223 1.809 . . . . 0.0 115.537 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 64.8 25.12 12.89 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.093 2.157 . . . . 0.0 112.964 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.7 pp -75.77 -9.67 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 120.382 -1.449 . . . . 0.0 114.52 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 87.4 8.77 73.84 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.06 1.314 . . . . 0.0 115.062 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.5 t70 68.59 -15.67 0.23 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 128.316 2.646 . . . . 0.0 114.139 -172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.8 tp -153.09 126.78 8.82 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.937 2.895 . . . . 0.0 106.44 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -61.01 -21.08 63.25 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -169.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -163.31 128.97 3.14 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.503 1.521 . . . . 0.0 111.011 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -163.09 154.58 17.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.477 1.911 . . . . 0.0 111.289 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.8 13.17 2.49 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.369 1.467 . . . . 0.0 112.901 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -143.83 -30.42 0.49 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.127 1.371 . . . . 0.0 113.218 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.22 -47.11 71.8 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.823 0.738 . . . . 0.0 110.638 170.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 28.2 ptm -60.02 -23.61 63.82 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.887 0.875 . . . . 0.0 113.28 171.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.3 ttm-85 -82.29 -5.58 58.66 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.838 1.655 . . . . 0.0 113.379 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -133.21 -17.61 2.34 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 81.1 p -66.41 -27.02 67.52 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.305 1.412 . . . . 0.0 113.508 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.68 -10.45 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.935 1.694 . . . . 0.0 112.707 171.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -96.37 -15.57 21.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.285 1.434 . . . . 0.0 113.125 -171.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 37.8 p -89.15 -39.05 13.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.227 1.411 . . . . 0.0 111.915 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 62.7 p -68.22 -24.71 64.95 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 pp -73.07 -13.44 61.2 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -88.2 -31.46 19.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.157 0.983 . . . . 0.0 111.347 172.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.54 -35.9 68.16 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.544 -0.722 . . . . 0.0 111.626 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.6 95.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.633 0.773 . . . . 0.0 112.072 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -60.49 -47.25 86.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.982 0.913 . . . . 0.0 111.584 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -59.88 -45.09 93.61 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.675 0.79 . . . . 0.0 112.307 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.15 91.06 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.929 0.892 . . . . 0.0 112.956 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -69.03 -38.0 78.93 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.842 0.857 . . . . 0.0 112.344 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -71.19 -35.63 71.63 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.826 0.739 . . . . 0.0 112.229 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.45 -39.34 91.93 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.339 -0.851 . . . . 0.0 112.036 171.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.22 78.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.92 0.888 . . . . 0.0 112.818 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -67.11 -41.59 85.97 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.942 0.897 . . . . 0.0 110.991 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -65.84 -41.93 91.14 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.79 -0.569 . . . . 0.0 111.554 173.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.47 -34.14 77.11 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.267 0.627 . . . . 0.0 112.421 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -67.3 -30.78 70.72 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.766 0.826 . . . . 0.0 112.162 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -75.08 -37.81 61.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.405 -0.809 . . . . 0.0 111.916 172.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -67.23 -30.05 69.86 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.68 0.792 . . . . 0.0 112.943 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.59 -12.68 61.48 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -59.22 137.36 58.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.155 0.982 . . . . 0.0 111.838 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . 0.292 1.9 pt-20 68.52 -10.81 0.44 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 129.057 2.943 . . . . 0.0 116.342 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.76 129.01 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.949 -1.094 . . . . 0.0 110.742 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 68.45 1.79 3.08 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.615 2.366 . . . . 0.0 115.161 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.3 p -64.09 -21.33 66.49 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.42 -17.87 64.88 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.006 1.322 . . . . 0.0 113.752 173.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.25 -53.32 1.11 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.697 1.199 . . . . 0.0 113.027 -174.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 88.8 mt 60.82 7.29 1.41 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 127.377 2.271 . . . . 0.0 114.668 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -161.15 41.75 0.16 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.932 1.693 . . . . 0.0 110.7 -172.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -63.02 -26.49 68.88 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.773 -1.204 . . . . 0.0 113.8 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -162.59 154.26 18.18 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.994 2.118 . . . . 0.0 111.859 174.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -154.92 133.23 11.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.816 1.647 . . . . 0.0 111.358 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -81.25 84.48 6.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.384 1.073 . . . . 0.0 110.836 172.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -87.53 5.33 39.75 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.978 1.311 . . . . 0.0 114.496 -173.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 52.9 m80 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.371 1.868 . . . . 0.0 112.27 -170.429 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.02 -16.75 37.29 Favored Glycine 0 N--CA 1.477 1.375 0 C-N-CA 124.414 1.007 . . . . 0.0 114.929 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -151.41 147.36 26.8 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.2 1.8 . . . . 0.0 111.068 -173.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 173.38 42.42 0.04 OUTLIER Glycine 0 N--CA 1.469 0.868 0 C-N-CA 124.022 0.82 . . . . 0.0 114.584 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -132.33 94.41 3.44 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.323 1.449 . . . . 0.0 110.861 -175.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -160.39 -2.01 0.06 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -170.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.39 -0.19 21.86 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.406 1.482 . . . . 0.0 113.639 -173.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.08 11.62 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 127.749 2.42 . . . . 0.0 111.913 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -113.1 -67.29 1.01 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.618 1.567 . . . . 0.0 110.766 -170.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 tp -92.04 -2.53 56.62 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.613 1.965 . . . . 0.0 111.382 172.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -148.34 -169.48 3.36 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.366 1.866 . . . . 0.0 109.642 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.4 m -152.42 122.96 7.3 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.439 1.496 . . . . 0.0 108.656 170.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.5 129.7 1.61 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.945 2.098 . . . . 0.0 108.288 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.77 171.05 18.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.768 2.027 . . . . 0.0 110.732 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.84 147.21 43.61 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.838 1.655 . . . . 0.0 114.434 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.1 t70 173.25 -27.76 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 130.378 3.471 . . . . 0.0 110.133 -169.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.39 -2.31 22.31 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.042 1.337 . . . . 0.0 113.377 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.9 tp -68.28 -35.44 71.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.285 1.434 . . . . 0.0 113.099 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 78.73 0.62 81.22 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 126.019 1.771 . . . . 0.0 114.227 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t70 69.15 -38.6 0.4 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 129.572 3.149 . . . . 0.0 115.057 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.46 -25.98 66.16 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.658 1.183 . . . . 0.0 113.06 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -81.33 -8.3 59.72 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.062 0.945 . . . . 0.0 113.274 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -103.74 9.11 37.24 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.016 1.726 . . . . 0.0 113.382 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.76 4.79 5.76 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.59 1.556 . . . . 0.0 114.695 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -63.98 -10.55 22.17 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.358 1.463 . . . . 0.0 114.652 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.87 -29.41 70.17 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.366 0.985 . . . . 0.0 112.865 174.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -76.72 -18.78 58.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.809 0.844 . . . . 0.0 112.707 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.1 mmt -89.03 -19.31 25.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.897 1.279 . . . . 0.0 112.213 171.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -81.31 -0.66 42.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.465 1.906 . . . . 0.0 112.126 169.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -145.38 -163.15 1.65 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.364 2.666 . . . . 0.0 107.02 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 26.0 p 66.16 -49.9 0.42 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.522 3.129 . . . . 0.0 115.646 171.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.99 -21.51 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.746 1.619 . . . . 0.0 112.943 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -72.34 -9.87 59.06 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.198 1.399 . . . . 0.0 114.356 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 28.6 m -132.47 -27.28 1.76 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.951 1.7 . . . . 0.0 112.656 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.4 m -69.43 -4.42 18.5 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -170.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.92 -41.23 97.71 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.037 -1.04 . . . . 0.0 111.146 170.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -74.85 -23.11 58.37 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.238 0.615 . . . . 0.0 112.464 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.57 -35.55 45.79 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.449 -0.782 . . . . 0.0 112.15 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.97 87.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.278 1.031 . . . . 0.0 111.337 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.93 -49.74 75.72 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.112 0.965 . . . . 0.0 111.563 169.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.73 -39.97 86.49 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.576 0.751 . . . . 0.0 112.538 175.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.84 82.87 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.12 -36.59 83.54 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.062 0.945 . . . . 0.0 112.266 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.92 -48.73 62.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.929 0.492 . . . . 0.0 111.626 171.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.94 -34.06 74.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.713 1.205 . . . . 0.0 113.028 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.05 -26.19 68.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -86.93 -43.34 12.47 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.663 0.665 . . . . 0.0 111.262 170.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -34.3 77.65 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.938 0.895 . . . . 0.0 112.915 -176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.71 -28.66 69.57 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.529 1.059 . . . . 0.0 113.741 -177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -78.24 -29.3 48.1 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.421 0.688 . . . . 0.0 111.72 175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -88.91 -58.15 2.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.809 1.244 . . . . 0.0 113.084 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.97 -33.58 14.09 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -171.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.82 -39.53 10.21 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 66.18 -27.34 0.11 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 128.914 2.885 . . . . 0.0 115.493 173.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -164.9 -97.58 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 128.184 2.594 . . . . 0.0 108.375 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 37.9 mt 65.36 -54.47 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 127.72 2.408 . . . . 0.0 111.647 -170.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -55.55 -46.94 77.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.142 1.377 . . . . 0.0 113.403 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.8 m -81.39 -22.97 37.95 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -80.37 -35.84 34.81 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.172 0.989 . . . . 0.0 112.073 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 tp -74.73 -48.42 25.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.183 1.393 . . . . 0.0 111.477 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 17.9 tp 72.13 147.87 0.08 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.085 2.554 . . . . 0.0 112.031 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -146.99 -46.38 0.18 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.457 1.103 . . . . 0.0 112.212 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -69.12 -12.18 61.45 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -143.85 15.84 1.76 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 126.343 1.857 . . . . 0.0 112.701 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -93.38 175.68 6.67 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.481 1.512 . . . . 0.0 113.104 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 68.0 t60 73.4 -34.15 0.28 Allowed 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.879 2.872 . . . . 0.0 116.182 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -88.24 3.15 50.52 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.833 1.653 . . . . 0.0 113.684 178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 127.13 2.172 . . . . 0.0 111.908 -175.778 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.6 -17.96 52.09 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 125.305 1.431 . . . . 0.0 114.65 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -162.58 140.07 8.18 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.968 2.107 . . . . 0.0 110.14 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.88 24.58 7.44 Favored Glycine 0 N--CA 1.474 1.177 0 C-N-CA 124.862 1.22 . . . . 0.0 115.636 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.27 0.16 52.83 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.728 1.211 . . . . 0.0 114.183 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 68.3 mt 70.39 -27.43 0.17 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.943 2.897 . . . . 0.0 115.375 169.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.32 -6.98 59.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.942 1.697 . . . . 0.0 113.183 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.05 87.97 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 126.505 1.922 . . . . 0.0 109.528 171.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -168.35 -56.93 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.565 1.946 . . . . 0.0 109.588 -169.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.9 mt -139.45 -17.87 0.99 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.703 2.001 . . . . 0.0 113.88 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 67.72 109.7 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 128.037 2.535 . . . . 0.0 114.146 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.7 m 68.41 11.62 8.42 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.886 2.074 . . . . 0.0 114.039 169.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -69.56 4.21 1.98 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -73.56 -43.11 60.63 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.134 1.773 . . . . 0.0 112.954 -175.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -139.64 98.48 3.49 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 126.145 1.778 . . . . 0.0 112.317 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -125.59 10.94 7.89 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.268 2.227 . . . . 0.0 110.37 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -129.07 2.26 5.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.897 1.279 . . . . 0.0 114.116 -171.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.8 tp -65.55 -36.33 77.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 124.725 1.21 . . . . 0.0 113.101 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.94 -1.7 83.36 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 126.207 1.86 . . . . 0.0 114.092 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 63.23 -71.81 0.05 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 129.036 2.935 . . . . 0.0 113.643 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.1 mt -145.04 -0.63 0.88 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.032 2.133 . . . . 0.0 112.768 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -116.08 167.09 11.3 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -156.71 -47.24 0.07 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.117 1.767 . . . . 0.0 112.049 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -160.76 124.82 3.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.164 1.386 . . . . 0.0 111.807 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 70.12 -24.19 0.16 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 129.283 3.033 . . . . 0.0 115.908 169.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.26 -23.41 61.21 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.438 -0.789 . . . . 0.0 112.542 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -57.22 -43.88 83.24 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.693 0.797 . . . . 0.0 110.879 172.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -64.9 -49.82 68.94 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.493 0.717 . . . . 0.0 110.556 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -57.04 -33.08 66.85 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.443 1.097 . . . . 0.0 113.449 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -89.63 -40.67 12.43 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.663 0.665 . . . . 0.0 112.498 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.4 p -79.58 -19.97 48.1 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -174.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.93 -17.4 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 119.892 1.223 . . . . 0.0 112.686 174.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -71.44 -13.49 61.85 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.817 1.247 . . . . 0.0 113.687 174.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 43.0 p -132.83 -26.51 1.76 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.82 1.648 . . . . 0.0 113.489 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.1 m -72.2 -8.6 55.63 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.389 1.076 . . . . 0.0 113.67 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.52 -42.86 75.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.0 1.32 . . . . 0.0 111.383 173.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.05 -23.35 52.06 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.84 -38.5 37.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.485 0.714 . . . . 0.0 111.57 173.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.43 96.42 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.852 0.861 . . . . 0.0 111.251 170.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -59.8 -47.75 84.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.859 0.864 . . . . 0.0 111.686 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.88 -44.26 91.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.401 0.68 . . . . 0.0 112.578 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.96 92.85 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.631 0.772 . . . . 0.0 112.756 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -69.97 -38.99 76.25 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.857 0.863 . . . . 0.0 112.425 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.51 -39.18 91.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.995 0.816 . . . . 0.0 111.858 173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.6 -40.66 88.95 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 112.23 174.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.86 73.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.791 0.836 . . . . 0.0 113.044 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -69.27 -45.85 68.67 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.808 0.843 . . . . 0.0 111.305 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.91 -33.48 76.11 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.821 -0.549 . . . . 0.0 112.091 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.23 -24.29 64.9 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -87.51 -38.33 16.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.251 1.02 . . . . 0.0 111.228 173.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -69.59 -34.86 74.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.245 1.018 . . . . 0.0 112.768 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -75.99 -16.87 59.9 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -92.83 -9.76 39.22 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.888 1.275 . . . . 0.0 113.408 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 57.81 30.42 18.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.837 1.655 . . . . 0.0 112.711 175.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 70.54 5.13 5.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.398 2.279 . . . . 0.0 114.186 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.79 -24.03 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 O-C-N 120.36 -1.463 . . . . 0.0 111.107 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -64.62 -3.31 3.04 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.28 1.432 . . . . 0.0 114.709 171.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 91.7 m -58.72 -21.37 54.84 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.073 1.349 . . . . 0.0 112.63 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -66.34 -23.21 66.32 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.9 tp -165.64 112.18 0.92 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.464 1.505 . . . . 0.0 110.794 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -162.93 137.35 6.35 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.108 1.763 . . . . 0.0 110.726 -176.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -152.32 20.76 0.65 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.658 1.583 . . . . 0.0 111.807 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -82.73 21.28 1.02 Allowed 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 125.643 1.577 . . . . 0.0 113.823 -174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -74.75 -1.48 22.17 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.168 1.787 . . . . 0.0 115.05 -172.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -137.24 143.78 42.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.045 1.738 . . . . 0.0 111.939 -176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -81.66 88.38 6.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.729 1.211 . . . . 0.0 111.684 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -80.08 -18.18 50.67 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 76.8 t60 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 127.032 2.133 . . . . 0.0 112.345 -175.157 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.85 -13.36 62.66 Favored Glycine 0 N--CA 1.475 1.294 0 C-N-CA 124.418 1.008 . . . . 0.0 114.408 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -167.73 -40.06 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.945 1.698 . . . . 0.0 112.992 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.57 -30.65 9.97 Favored Glycine 0 N--CA 1.473 1.107 0 C-N-CA 125.233 1.397 . . . . 0.0 113.768 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -117.57 3.01 12.42 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.841 1.657 . . . . 0.0 112.808 172.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.7 mp 65.89 14.34 9.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 128.325 2.65 . . . . 0.0 113.604 170.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.77 40.46 0.31 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.266 1.826 . . . . 0.0 113.676 -172.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 p -168.02 93.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 127.83 2.452 . . . . 0.0 108.92 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -172.58 -58.04 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.12 2.168 . . . . 0.0 108.844 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.0 mt -135.73 -11.74 2.04 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.139 2.176 . . . . 0.0 113.403 173.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.08 -122.08 1.56 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.983 1.713 . . . . 0.0 111.49 175.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.2 t -159.61 141.7 13.38 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 128.312 2.645 . . . . 0.0 108.321 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 65.41 112.34 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 129.276 3.03 . . . . 0.0 112.745 -172.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -85.04 98.06 10.19 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.131 1.372 . . . . 0.0 109.378 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.7 154.22 24.06 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.892 1.677 . . . . 0.0 111.56 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -151.14 42.98 0.77 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.446 1.899 . . . . 0.0 109.981 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 62.86 32.24 15.92 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.624 1.97 . . . . 0.0 112.336 -173.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -7.16 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.63 0.76 81.49 Favored Glycine 0 N--CA 1.473 1.138 0 C-N-CA 125.611 1.577 . . . . 0.0 114.885 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.2 t70 68.61 -23.18 0.14 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 128.788 2.835 . . . . 0.0 114.321 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 98.5 mt -137.32 126.53 24.63 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.831 2.452 . . . . 0.0 108.323 172.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -73.43 152.72 40.68 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.73 37.01 0.63 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.002 1.721 . . . . 0.0 113.881 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.65 161.12 42.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.612 1.565 . . . . 0.0 112.205 -175.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -137.1 2.04 2.52 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.111 1.364 . . . . 0.0 113.475 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.07 -23.33 66.51 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.597 -1.315 . . . . 0.0 113.619 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.34 -39.21 71.49 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.462 0.705 . . . . 0.0 111.494 172.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.2 mmt -71.82 -30.0 65.03 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.075 0.95 . . . . 0.0 111.921 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -66.49 -42.26 87.7 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.539 1.136 . . . . 0.0 111.076 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -78.46 -36.11 45.74 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.181 0.993 . . . . 0.0 112.868 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.4 p -66.71 -21.72 66.08 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -173.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.2 t -93.69 -23.65 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.589 1.555 . . . . 0.0 111.721 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -84.14 -27.86 27.84 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.624 1.17 . . . . 0.0 112.761 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.9 t -89.01 154.77 19.94 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.313 1.445 . . . . 0.0 110.615 174.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 49.2 m 68.98 -41.54 0.47 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 128.022 2.529 . . . . 0.0 114.949 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.18 -34.85 78.98 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.217 1.007 . . . . 0.0 111.732 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -75.64 -24.53 56.42 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.874 0.87 . . . . 0.0 112.5 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.81 -38.05 33.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.68 0.792 . . . . 0.0 111.648 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.06 98.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.721 0.808 . . . . 0.0 111.743 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -61.32 -48.42 81.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.393 1.077 . . . . 0.0 111.642 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.31 -45.51 87.9 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.242 0.617 . . . . 0.0 112.017 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.08 71.57 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.685 0.794 . . . . 0.0 112.755 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 8.8 ptm85 -69.7 -29.22 66.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.55 -51.87 25.55 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.48 0.582 . . . . 0.0 111.56 169.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.47 -36.68 78.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.606 0.762 . . . . 0.0 112.318 -176.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.81 -26.45 68.63 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.9 -44.23 11.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.953 0.797 . . . . 0.0 111.462 171.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -66.11 -21.64 66.36 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.571 1.148 . . . . 0.0 113.206 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.62 63.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.851 1.261 . . . . 0.0 114.044 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -83.74 -24.51 31.14 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.729 0.812 . . . . 0.0 111.735 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -88.48 -32.87 18.03 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.27 1.028 . . . . 0.0 112.731 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -80.45 -7.29 59.09 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -55.78 -22.47 24.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.103 1.361 . . . . 0.0 114.579 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -87.0 -2.86 58.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.951 1.3 . . . . 0.0 113.992 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -135.71 -18.12 1.66 Allowed 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.95 -21.63 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 120.517 -1.365 . . . . 0.0 112.489 169.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -70.7 -9.15 56.53 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.413 1.485 . . . . 0.0 113.921 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -62.06 -21.25 64.78 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.349 1.46 . . . . 0.0 114.135 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.84 -18.21 65.27 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.78 50.11 1.76 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.181 1.392 . . . . 0.0 110.661 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 47.4 tp -79.59 85.08 5.36 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.192 1.397 . . . . 0.0 110.634 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -160.94 67.23 0.31 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.279 1.832 . . . . 0.0 108.7 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -93.02 70.08 4.54 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.537 1.135 . . . . 0.0 112.471 -169.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -61.22 152.33 29.15 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.851 1.66 . . . . 0.0 113.37 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 45.3 m80 60.74 -131.38 0.81 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.595 1.958 . . . . 0.0 111.221 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 67.77 -61.55 0.37 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.959 2.504 . . . . 0.0 113.484 -173.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 34.6 p80 45.88 29.37 0.71 Allowed 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 128.225 2.61 . . . . 0.0 117.305 169.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 73.0 t60 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.477 1.511 . . . . 0.0 113.044 -172.708 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.367 0.127 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.48 55.5 5.03 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 125.249 1.404 . . . . 0.0 113.394 -175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -161.36 142.33 11.26 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.913 1.685 . . . . 0.0 111.332 -175.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 78.4 34.35 36.48 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.214 0.912 . . . . 0.0 113.712 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -125.76 78.49 1.75 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.447 1.499 . . . . 0.0 111.592 -170.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.6 mp 67.14 5.32 4.08 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.63 2.372 . . . . 0.0 114.843 170.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.79 -26.1 65.03 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.448 -1.408 . . . . 0.0 112.713 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.12 0.35 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.276 2.23 . . . . 0.0 113.146 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.59 -60.82 2.25 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.721 1.208 . . . . 0.0 111.56 -176.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.8 mt -91.68 -11.19 37.64 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.365 1.866 . . . . 0.0 111.172 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.251 9.1 pt-20 54.81 12.95 0.64 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.304 2.642 . . . . 0.0 115.717 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.0 m -168.82 131.69 1.35 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 129.07 2.948 . . . . 0.0 107.185 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.76 27.2 0.38 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.643 1.177 . . . . 0.0 112.417 -173.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -162.88 142.97 9.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.588 1.955 . . . . 0.0 110.065 -174.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -157.3 159.14 37.23 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.405 1.882 . . . . 0.0 111.307 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -134.84 43.66 2.7 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.895 1.678 . . . . 0.0 110.908 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 72.44 16.84 4.87 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.711 2.005 . . . . 0.0 110.643 -169.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 117' ' ' ILE . 7.0 tp -168.07 147.59 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 131.507 3.923 . . . . 0.0 106.111 -173.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -76.31 0.76 62.77 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 119.203 -0.776 . . . . 0.0 114.458 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.7 t70 68.22 -40.72 0.43 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 129.771 3.228 . . . . 0.0 115.851 174.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.73 -6.65 48.19 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.567 1.547 . . . . 0.0 113.853 -175.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -133.46 16.38 4.03 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.066 1.747 . . . . 0.0 112.842 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.28 -3.61 27.99 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.299 1.44 . . . . 0.0 114.724 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.93 111.26 6.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.59 1.556 . . . . 0.0 110.779 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -75.84 -21.07 57.62 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 113.222 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -67.92 -41.3 82.83 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.75 -1.219 . . . . 0.0 111.856 171.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.36 -32.84 73.22 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.386 0.674 . . . . 0.0 111.601 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 49.4 ttm -63.17 -48.68 77.4 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.691 0.796 . . . . 0.0 110.824 170.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -63.81 -35.14 79.64 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.576 0.751 . . . . 0.0 112.933 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -69.1 -24.07 64.08 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.94 0.791 . . . . 0.0 112.865 171.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.4 m -90.03 -33.28 16.39 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.959 0.903 . . . . 0.0 112.896 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 49.9 t -73.71 -36.0 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.45 1.1 . . . . 0.0 111.626 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -67.85 -25.68 65.66 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.6 p -89.44 -28.62 19.6 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.226 1.41 . . . . 0.0 112.134 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.9 m -74.28 -11.53 60.3 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.798 1.239 . . . . 0.0 113.578 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.0 tp -65.48 -32.93 74.8 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.59 1.156 . . . . 0.0 113.621 -171.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -77.12 -32.59 56.58 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.821 0.737 . . . . 0.0 112.046 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.35 -37.19 52.85 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.452 -0.78 . . . . 0.0 111.583 174.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.81 72.92 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.475 0.71 . . . . 0.0 112.628 170.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -66.43 -48.07 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.907 1.283 . . . . 0.0 111.379 169.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -58.42 -40.92 83.78 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.589 -0.694 . . . . 0.0 112.204 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.21 98.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.425 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -61.53 -38.97 89.36 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.996 0.816 . . . . 0.0 112.867 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.64 -48.89 70.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.938 0.79 . . . . 0.0 111.621 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -65.08 -36.13 83.35 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.525 -0.734 . . . . 0.0 112.227 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.34 -18.95 62.36 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -85.49 -35.2 21.33 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.22 1.008 . . . . 0.0 110.016 173.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -72.08 -27.29 62.57 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.875 0.87 . . . . 0.0 112.519 171.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.85 -22.98 60.7 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.043 1.337 . . . . 0.0 113.805 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -83.08 -34.58 26.13 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.404 0.682 . . . . 0.0 111.083 173.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -81.33 -32.56 32.95 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.591 -0.693 . . . . 0.0 112.636 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -72.67 -17.01 61.69 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 172.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.86 -8.33 37.6 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.97 1.471 . . . . 0.0 114.97 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -79.31 130.3 35.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.026 0.83 . . . . 0.0 111.018 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -152.67 23.63 0.59 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.786 1.234 . . . . 0.0 113.122 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 46.8 pt -67.01 -7.34 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -169.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -140.14 3.11 1.96 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.267 1.427 . . . . 0.0 113.44 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.3 m -67.08 -31.39 71.85 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.16 1.384 . . . . 0.0 112.802 -173.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.0 -18.09 60.9 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.991 0.916 . . . . 0.0 112.645 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.15 -5.57 29.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.39 1.476 . . . . 0.0 113.244 -175.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.8 tp -152.38 109.5 3.53 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.481 1.112 . . . . 0.0 111.231 -177.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -167.99 -50.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.317 1.847 . . . . 0.0 110.117 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -158.39 -149.21 0.21 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.46 1.904 . . . . 0.0 111.003 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 74.63 -44.42 0.55 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.154 2.982 . . . . 0.0 115.136 172.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -85.43 -10.58 56.0 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.572 1.549 . . . . 0.0 113.289 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -78.61 -6.51 55.82 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.539 1.536 . . . . 0.0 114.404 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 59.54 10.5 1.93 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 128.26 2.624 . . . . 0.0 117.413 169.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 76.8 t60 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.088 1.755 . . . . 0.0 112.1 -178.124 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.8 ptt? . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.735 0.303 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -163.15 134.77 3.53 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.837 1.684 . . . . 0.0 110.611 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.21 -12.64 29.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.098 1.759 . . . . 0.0 115.285 -170.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.01 41.25 2.39 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.791 1.662 . . . . 0.0 113.824 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -154.14 133.57 12.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.697 1.599 . . . . 0.0 111.765 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.29 -12.22 55.17 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -171.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.43 3.88 53.85 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.711 1.204 . . . . 0.0 112.691 176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.262 8.9 p -137.44 64.67 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 124.059 1.885 . . . . 0.0 110.34 172.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -117.27 13.78 14.67 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.74 2.416 . . . . 0.0 109.559 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 tp 61.15 37.13 17.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.359 2.264 . . . . 0.0 111.619 -173.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.13 146.75 20.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.526 1.13 . . . . 0.0 111.46 -170.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.5 p -132.89 112.03 11.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.55 1.94 . . . . 0.0 108.385 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 88.7 mtm-85 -96.5 106.0 18.17 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.894 1.677 . . . . 0.0 109.529 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -154.42 170.1 22.18 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.229 2.611 . . . . 0.0 111.046 -173.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.9 148.86 49.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.982 1.713 . . . . 0.0 112.586 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -160.82 51.03 0.27 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.978 1.711 . . . . 0.0 110.962 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 64.25 25.69 13.61 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.338 1.855 . . . . 0.0 112.888 -174.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 44.3 pt -76.85 -23.52 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.858 1.263 . . . . 0.0 114.033 -171.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.5 2.69 81.01 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.062 1.315 . . . . 0.0 114.751 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -89.08 -13.8 37.78 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.181 1.392 . . . . 0.0 113.203 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.1 mt -124.4 -0.48 8.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.829 1.651 . . . . 0.0 113.194 -174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -162.59 154.7 18.72 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.821 1.648 . . . . 0.0 112.119 -178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.27 85.02 1.91 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.264 1.425 . . . . 0.0 111.482 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.6 166.62 21.47 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.375 1.47 . . . . 0.0 113.733 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -119.47 42.22 2.92 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.405 1.882 . . . . 0.0 111.054 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.68 -28.01 69.64 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.22 -33.41 75.3 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.54 -0.725 . . . . 0.0 112.579 174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -75.69 -44.23 43.3 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.171 0.988 . . . . 0.0 110.145 171.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -55.56 -41.08 72.78 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.938 1.295 . . . . 0.0 112.482 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -76.15 -32.14 58.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.885 0.874 . . . . 0.0 112.55 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 66.2 m -68.65 -39.92 80.49 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.281 0.946 . . . . 0.0 112.585 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.4 m -81.69 -4.09 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.08 -1.33 16.9 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.788 0.835 . . . . 0.0 113.169 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.0 t -154.61 169.46 23.81 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.322 1.449 . . . . 0.0 113.214 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.1 m -66.0 6.33 0.39 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.028 2.131 . . . . 0.0 114.5 -169.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.76 -19.62 54.79 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 119.056 0.844 . . . . 0.0 110.852 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -95.44 -19.15 20.12 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 169.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.95 -39.16 35.25 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.486 -0.759 . . . . 0.0 112.067 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.88 92.5 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.45 0.7 . . . . 0.0 111.33 170.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.67 -49.79 76.1 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.562 0.745 . . . . 0.0 110.975 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.58 -42.97 89.24 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.729 0.812 . . . . 0.0 112.878 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.33 83.74 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.77 0.828 . . . . 0.0 112.651 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.48 -33.42 75.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.894 0.878 . . . . 0.0 112.462 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.67 -49.65 51.53 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.717 0.807 . . . . 0.0 111.046 172.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -58.98 -37.49 76.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.123 0.969 . . . . 0.0 112.719 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.49 -24.11 66.35 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -87.03 -42.96 12.68 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.919 0.888 . . . . 0.0 110.782 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -59.71 -35.79 75.23 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.439 1.096 . . . . 0.0 112.252 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.08 -22.2 66.7 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -87.46 -36.45 17.67 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.397 1.079 . . . . 0.0 110.905 173.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -74.25 -40.16 62.54 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.284 1.034 . . . . 0.0 112.272 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -61.73 -32.56 72.8 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.553 1.141 . . . . 0.0 111.965 174.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.5 -10.36 50.97 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -87.97 2.13 52.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.859 1.264 . . . . 0.0 113.421 176.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -60.63 -16.61 40.43 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -172.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 9.5 tp -59.67 -26.95 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.068 0.947 . . . . 0.0 112.532 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -76.45 -19.57 57.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.384 1.074 . . . . 0.0 113.143 176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.9 m -84.37 -25.32 29.23 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.399 1.48 . . . . 0.0 111.893 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.77 -18.12 62.16 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.114 1.366 . . . . 0.0 113.434 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.14 -6.19 51.96 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.134 1.374 . . . . 0.0 113.527 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 11.6 tp -148.25 -142.72 0.13 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.526 1.13 . . . . 0.0 111.192 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -175.42 152.98 1.44 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 129.095 2.958 . . . . 0.0 107.326 -169.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -66.51 -19.52 65.81 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 68.42 161.96 0.2 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 127.615 2.366 . . . . 0.0 115.531 171.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -130.36 -3.71 4.34 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -172.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 42.2 t60 70.35 -32.23 0.23 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.777 2.831 . . . . 0.0 116.829 171.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -111.74 6.04 19.52 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.737 2.015 . . . . 0.0 112.733 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 71.7 t60 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.388 2.275 . . . . 0.0 111.232 -176.794 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.6 ptp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.47 0.176 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.54 127.66 1.82 Allowed Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.4 1.0 . . . . 0.0 112.717 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -129.14 -1.49 5.14 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.774 1.629 . . . . 0.0 112.538 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -95.0 43.11 2.29 Favored Glycine 0 N--CA 1.469 0.849 0 C-N-CA 126.567 2.032 . . . . 0.0 112.517 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -158.26 143.47 16.58 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.386 1.475 . . . . 0.0 111.76 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 pp -147.68 4.95 0.78 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.658 1.983 . . . . 0.0 112.954 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -77.15 -34.84 56.42 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.432 -0.792 . . . . 0.0 112.299 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.77 3.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 125.666 1.586 . . . . 0.0 114.281 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.37 -38.49 90.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.365 1.866 . . . . 0.0 112.165 172.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.4 tp -156.34 -21.66 0.1 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.913 1.685 . . . . 0.0 114.774 -169.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 64.22 -168.8 0.2 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.649 2.38 . . . . 0.0 112.927 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.0 p -142.46 140.31 31.87 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.905 2.482 . . . . 0.0 108.451 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -135.69 107.95 7.28 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 127.095 2.158 . . . . 0.0 109.634 -172.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -73.21 -17.37 61.36 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.802 1.241 . . . . 0.0 114.095 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -161.24 149.18 15.46 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.729 2.012 . . . . 0.0 110.097 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -158.64 39.57 0.24 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.847 1.659 . . . . 0.0 110.681 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 64.39 48.43 2.77 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.051 1.74 . . . . 0.0 110.807 -170.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 45.6 pt -108.01 -173.84 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 126.539 1.936 . . . . 0.0 111.278 -174.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.42 9.04 56.89 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 126.987 2.232 . . . . 0.0 115.362 -173.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.13 -18.43 64.43 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 118.788 1.294 . . . . 0.0 113.397 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.8 mt -97.96 -4.77 35.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.59 1.556 . . . . 0.0 113.557 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -160.47 99.51 1.3 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.087 1.355 . . . . 0.0 112.097 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.59 -149.33 0.15 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.574 1.95 . . . . 0.0 110.117 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -156.16 158.29 37.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.21 2.204 . . . . 0.0 110.647 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -157.0 -40.7 0.07 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -173.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.37 -45.49 79.91 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.332 0.969 . . . . 0.0 113.005 -172.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.62 -27.15 58.33 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.379 0.672 . . . . 0.0 112.173 177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -67.51 -48.27 67.55 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.466 1.106 . . . . 0.0 110.368 173.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.75 -25.3 67.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.585 1.154 . . . . 0.0 112.726 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.71 -42.6 21.66 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.082 0.953 . . . . 0.0 111.072 170.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 m -72.47 -26.99 62.02 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -174.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.08 41.97 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.584 1.554 . . . . 0.0 111.578 174.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -60.83 -17.83 52.18 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 20.7 p -96.2 -50.37 4.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.184 1.794 . . . . 0.0 111.441 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.2 m -62.81 -26.75 68.89 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -175.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.28 -23.9 64.81 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -83.31 -30.42 27.55 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.841 0.856 . . . . 0.0 111.755 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.3 -38.48 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.606 -0.684 . . . . 0.0 111.491 171.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.84 99.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.778 0.831 . . . . 0.0 111.591 170.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.53 -48.34 82.02 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.653 0.66 . . . . 0.0 111.452 172.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.52 -45.18 89.38 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.94 0.791 . . . . 0.0 112.463 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.83 86.65 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.734 0.814 . . . . 0.0 112.64 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.49 -40.82 96.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.234 1.014 . . . . 0.0 112.255 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.01 -42.81 84.34 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.866 1.266 . . . . 0.0 111.389 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.46 -44.14 88.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.615 0.766 . . . . 0.0 112.196 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.86 -36.03 82.32 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.636 0.775 . . . . 0.0 112.954 177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.53 -46.68 63.14 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.857 0.863 . . . . 0.0 111.03 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -61.01 -40.59 94.15 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.776 0.716 . . . . 0.0 111.524 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.62 -23.2 65.88 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -83.64 -33.6 25.24 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.554 0.742 . . . . 0.0 111.207 170.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -73.54 -21.76 60.28 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.896 -1.128 . . . . 0.0 113.084 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -75.43 -27.89 59.14 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.589 0.631 . . . . 0.0 111.217 168.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -94.63 -25.98 16.54 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -135.83 169.35 17.7 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.846 1.658 . . . . 0.0 112.261 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 75.09 11.21 3.6 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.374 2.27 . . . . 0.0 114.816 172.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 19.5 tt -63.15 -34.58 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 119.977 -1.702 . . . . 0.0 112.119 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -75.68 -6.4 50.3 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.954 0.902 . . . . 0.0 113.365 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 4.9 m -81.0 -34.38 32.99 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.23 1.012 . . . . 0.0 110.245 171.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -80.25 -40.39 27.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.375 1.07 . . . . 0.0 111.607 170.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 82.9 mt -104.7 80.79 1.69 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.473 1.509 . . . . 0.0 109.437 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.82 -20.41 65.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.927 1.291 . . . . 0.0 113.931 -170.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.23 112.61 11.83 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.925 1.69 . . . . 0.0 108.011 169.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -149.83 22.11 0.89 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.07 1.348 . . . . 0.0 113.167 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 73.05 161.57 0.25 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 128.002 2.521 . . . . 0.0 113.676 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -98.55 -89.67 0.3 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.355 1.462 . . . . 0.0 113.457 -171.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -159.3 46.45 0.28 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.646 1.578 . . . . 0.0 112.086 -169.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -71.09 -5.36 30.93 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -174.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.878 2.071 . . . . 0.0 112.009 -174.546 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.2 ttt . . . . . 0 N--CA 1.485 1.285 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.59 -12.81 68.76 Favored Glycine 0 N--CA 1.477 1.39 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -156.05 150.41 25.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.766 1.627 . . . . 0.0 112.203 -172.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.94 -100.29 0.2 Allowed Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.848 1.213 . . . . 0.0 111.069 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -86.47 -4.21 59.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.016 1.326 . . . . 0.0 114.425 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 66.9 mt 68.99 -0.49 2.41 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.834 2.453 . . . . 0.0 115.002 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -71.87 -17.81 62.09 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.001 -1.062 . . . . 0.0 113.349 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.9 m -67.04 0.07 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 126.406 1.882 . . . . 0.0 114.52 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -71.55 -57.21 4.62 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 126.135 1.774 . . . . 0.0 111.216 174.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.2 tp -84.38 -19.67 33.2 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.581 1.953 . . . . 0.0 111.376 171.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.307 10.9 pt-20 47.83 -113.4 0.52 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.874 2.07 . . . . 0.0 112.966 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.2 t -151.21 137.08 18.1 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 127.58 2.352 . . . . 0.0 108.782 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.49 2.19 2.44 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.557 1.543 . . . . 0.0 114.936 -172.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -86.34 -26.61 24.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.468 1.107 . . . . 0.0 113.204 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.267 22.2 mt-10 53.42 45.85 27.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.221 1.808 . . . . 0.0 114.105 -174.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -94.06 11.77 28.69 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.542 1.537 . . . . 0.0 110.067 169.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -125.16 6.31 7.84 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.301 1.44 . . . . 0.0 113.707 -169.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -33.34 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.071 1.349 . . . . 0.0 112.248 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 93.27 6.48 62.89 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.837 1.684 . . . . 0.0 114.863 175.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 61.06 16.6 7.23 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.744 2.017 . . . . 0.0 114.123 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 mt 62.4 19.2 10.94 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.118 2.167 . . . . 0.0 113.295 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -155.24 50.74 0.58 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.28 1.832 . . . . 0.0 110.896 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.97 -17.58 61.46 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -169.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -162.08 145.59 11.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.004 1.322 . . . . 0.0 112.648 -177.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -156.73 14.48 0.28 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.107 1.763 . . . . 0.0 112.604 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -65.03 -23.64 67.26 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 120.978 -1.076 . . . . 0.0 113.319 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.2 -58.66 7.38 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.551 0.74 . . . . 0.0 110.388 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 31.1 ttm -78.29 -7.16 56.88 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.44 1.096 . . . . 0.0 113.176 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -116.26 -6.5 11.83 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -178.694 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -161.24 -38.53 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 172.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.7 m -80.94 -17.17 51.42 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.058 1.299 . . . . 0.0 114.463 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 5.4 p -146.42 26.95 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 125.156 1.382 . . . . 0.0 111.864 169.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 53.3 tpt85 -69.31 -27.78 65.68 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.033 1.333 . . . . 0.0 113.979 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.3 p -158.45 165.77 33.82 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.094 2.158 . . . . 0.0 111.314 -174.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.6 t 81.54 -18.27 0.5 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 128.502 2.721 . . . . 0.0 115.595 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.6 tp -96.03 -25.06 16.06 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.319 0.963 . . . . 0.0 113.255 172.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -97.39 -45.15 6.57 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.835 1.254 . . . . 0.0 111.616 -175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.0 -31.53 59.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.764 0.826 . . . . 0.0 113.04 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.92 -43.06 65.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.314 0.646 . . . . 0.0 111.196 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -58.43 -47.46 83.89 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.135 0.574 . . . . 0.0 111.646 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.16 -43.92 92.09 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.65 0.78 . . . . 0.0 112.325 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.98 99.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.397 0.679 . . . . 0.0 112.824 177.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.94 -38.45 76.18 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.05 -42.22 89.81 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.644 0.656 . . . . 0.0 111.518 175.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.41 -41.85 93.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.85 0.86 . . . . 0.0 112.243 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.52 -33.69 76.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.696 0.799 . . . . 0.0 112.986 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.77 -46.73 35.2 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.135 0.574 . . . . 0.0 111.286 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -70.53 -35.96 73.46 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -174.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.43 -26.88 66.63 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -87.42 -28.99 21.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.628 0.771 . . . . 0.0 111.874 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -74.39 -35.64 63.48 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.056 0.943 . . . . 0.0 112.179 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.3 ptm85 -77.03 -14.96 59.76 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 175.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -80.88 -17.97 48.85 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -175.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 72.89 150.98 0.11 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.98 2.512 . . . . 0.0 112.834 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -138.66 102.25 4.54 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.944 1.297 . . . . 0.0 110.156 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 20.5 tt -156.57 56.46 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.77 1.628 . . . . 0.0 110.026 -177.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . 0.279 8.3 p30 60.37 7.59 1.35 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 128.097 2.559 . . . . 0.0 115.703 -173.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.4 p -56.33 -43.57 79.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 127.951 2.5 . . . . 0.0 113.417 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -83.29 -17.74 41.47 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.167 0.987 . . . . 0.0 113.303 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.6 -16.28 52.07 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.433 1.093 . . . . 0.0 113.295 -176.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 53.3 tp -99.63 90.78 4.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.198 1.399 . . . . 0.0 109.56 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -165.26 99.32 0.73 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.621 1.568 . . . . 0.0 108.467 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -157.87 -90.79 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.291 1.436 . . . . 0.0 110.564 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 47.2 m80 64.46 9.43 4.99 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.228 2.211 . . . . 0.0 115.294 169.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -86.83 -31.27 20.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.225 1.41 . . . . 0.0 113.349 -178.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -164.61 41.44 0.08 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 127.077 2.151 . . . . 0.0 111.044 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -71.99 -0.46 11.63 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -170.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 127.06 2.144 . . . . 0.0 111.726 -179.44 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.528 0.204 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -94.48 29.92 8.42 Favored Glycine 0 N--CA 1.475 1.275 0 C-N-CA 125.817 1.675 . . . . 0.0 114.522 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.11 132.82 46.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.809 1.243 . . . . 0.0 112.841 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -109.65 -31.76 3.1 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 124.982 1.277 . . . . 0.0 114.856 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -82.65 110.8 18.03 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.892 1.277 . . . . 0.0 111.516 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.96 -15.57 62.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.49 1.516 . . . . 0.0 114.408 -172.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.09 -17.79 51.69 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.352 1.061 . . . . 0.0 113.068 175.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.37 91.79 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.828 1.251 . . . . 0.0 107.809 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -167.93 -54.32 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.744 2.018 . . . . 0.0 110.437 -169.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.9 tp -141.44 -8.71 0.97 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.048 1.739 . . . . 0.0 113.075 -173.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -15.65 62.8 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 176.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.58 4.33 52.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.205 2.202 . . . . 0.0 113.188 -172.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -59.43 -7.17 1.26 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.755 2.022 . . . . 0.0 115.484 -172.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -62.67 -30.27 71.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.76 1.224 . . . . 0.0 113.457 172.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.46 154.17 32.82 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.592 1.087 . . . . 0.0 112.786 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -145.65 47.97 1.26 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.689 1.596 . . . . 0.0 110.835 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 66.35 22.61 10.79 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.524 1.93 . . . . 0.0 110.779 -169.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 117' ' ' ILE . 7.1 tp -168.65 149.52 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 131.634 3.973 . . . . 0.0 106.918 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.6 15.97 8.8 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 125.358 1.456 . . . . 0.0 115.336 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 64.8 -76.88 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.674 2.79 . . . . 0.0 113.057 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 99.2 mt -140.08 18.29 2.45 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.839 2.056 . . . . 0.0 112.319 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 76.28 150.27 0.11 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 128.753 2.821 . . . . 0.0 113.558 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -154.5 27.38 0.45 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -147.89 139.11 23.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.341 1.056 . . . . 0.0 112.519 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 68.17 -8.51 0.56 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 128.279 2.632 . . . . 0.0 116.168 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.03 -32.87 72.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.681 1.128 . . . . 0.0 113.784 -172.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -74.13 -37.61 64.03 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.949 0.899 . . . . 0.0 111.896 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 66.1 mtt -70.67 -39.82 73.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.088 0.955 . . . . 0.0 111.394 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -59.86 -18.07 41.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.392 1.877 . . . . 0.0 114.001 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -108.09 -38.69 5.71 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.928 0.891 . . . . 0.0 112.008 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.7 m -69.61 -31.63 69.87 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.889 1.222 . . . . 0.0 112.962 -173.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.3 t -86.17 -39.45 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.385 0.674 . . . . 0.0 110.827 175.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -71.6 -28.64 63.95 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 25.3 p -78.73 -46.35 19.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.802 0.841 . . . . 0.0 111.974 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.3 t -65.42 -24.59 67.24 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.91 3.22 53.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.531 1.532 . . . . 0.0 113.46 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -123.0 -29.52 3.91 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.44 -39.33 74.42 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.172 -0.955 . . . . 0.0 111.73 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -70.46 -37.25 74.26 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.599 0.76 . . . . 0.0 112.166 173.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -60.64 -46.39 90.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 171.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.92 -41.57 99.5 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 112.254 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.51 97.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.593 0.757 . . . . 0.0 112.676 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -69.65 -33.5 72.7 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.61 -44.64 73.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.659 0.784 . . . . 0.0 111.342 173.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.15 -36.91 85.58 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.028 0.931 . . . . 0.0 112.285 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.11 -21.66 66.36 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 174.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -86.48 -45.06 11.48 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.589 0.756 . . . . 0.0 110.748 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.19 -31.16 72.25 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.538 -0.726 . . . . 0.0 112.513 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.0 -23.39 63.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.888 1.275 . . . . 0.0 114.074 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -87.52 -27.61 22.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.411 1.084 . . . . 0.0 111.7 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -89.01 -27.44 20.86 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.676 1.59 . . . . 0.0 112.925 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -90.78 -6.09 54.81 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.641 1.976 . . . . 0.0 114.533 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -54.47 -0.95 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.23 0 N-CA-C 119.343 3.09 . . . . 0.0 119.343 -169.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 72.44 -80.0 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.639 2.375 . . . . 0.0 113.466 170.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 64.77 -43.17 0.31 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.247 3.019 . . . . 0.0 114.512 -173.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 18.6 tt -65.75 -26.64 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.195 1.398 . . . . 0.0 113.104 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -82.45 -0.84 48.12 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.715 1.206 . . . . 0.0 113.485 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 60.1 p -65.91 -21.08 66.42 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.608 1.563 . . . . 0.0 113.659 175.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.12 -17.93 21.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.686 1.594 . . . . 0.0 114.568 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.86 -10.11 57.28 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 176.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.52 85.78 4.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.413 1.085 . . . . 0.0 110.536 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -146.77 -10.59 0.46 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -88.26 -20.93 24.81 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -170.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -166.86 171.69 11.08 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.0 2.12 . . . . 0.0 111.776 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -151.78 -21.71 0.19 Allowed 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 55.5 m80 66.98 -6.58 0.55 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.565 2.346 . . . . 0.0 115.523 -178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 61.52 19.15 10.09 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 126.802 2.041 . . . . 0.0 114.513 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.409 1.884 . . . . 0.0 112.087 -173.181 . . . . . . . . 0 0 . 1 stop_ save_