data_1x93_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 1x93 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.658 0 CA-C-O 122.273 1.035 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.68 139.52 50.11 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.203 1.001 . . . . 0.0 112.938 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.04 110.09 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.249 1.82 . . . . 0.0 109.752 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -114.84 123.62 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.861 1.664 . . . . 0.0 111.628 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -134.35 164.87 26.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.276 1.43 . . . . 0.0 113.079 -165.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -119.92 89.39 3.12 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.232 1.813 . . . . 0.0 110.613 -161.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.64 -177.72 4.01 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 128.923 2.889 . . . . 0.0 112.277 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -138.59 167.26 22.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.11 0.964 . . . . 0.0 112.712 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.89 -52.62 23.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.924 1.689 . . . . 0.0 113.686 -164.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -55.39 -53.21 59.11 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.802 1.241 . . . . 0.0 113.128 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.71 -37.51 79.08 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.138 0.975 . . . . 0.0 111.81 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -49.89 52.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.896 0.878 . . . . 0.0 112.591 173.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -33.56 75.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.844 1.258 . . . . 0.0 113.069 -175.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -62.62 -37.63 87.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.451 1.101 . . . . 0.0 112.145 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.59 -34.58 60.64 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.0 -40.31 96.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.091 0.956 . . . . 0.0 113.089 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -64.51 -37.49 87.73 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.191 0.996 . . . . 0.0 111.958 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.9 mtm -67.87 -43.67 78.84 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.699 0.8 . . . . 0.0 111.714 170.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -59.99 -34.92 73.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -62.16 -23.64 66.71 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 173.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.92 -39.16 90.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 168.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.54 -4.93 51.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.634 1.974 . . . . 0.0 113.556 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 76.78 38.95 0.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.462 2.705 . . . . 0.0 113.109 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 78.91 111.09 0.07 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 129.829 3.252 . . . . 0.0 113.941 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 77.0 p -155.07 27.19 0.42 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.272 2.229 . . . . 0.0 111.242 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 t -54.87 131.12 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.785 1.234 . . . . 0.0 110.377 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -46.23 1.33 Allowed Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.669 1.128 . . . . 0.0 112.301 -171.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -78.68 -40.99 32.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.607 0.763 . . . . 0.0 112.207 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.08 -38.47 70.72 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 111.955 175.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -55.37 -56.56 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.645 1.578 . . . . 0.0 110.569 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -63.14 -44.89 94.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -55.61 -38.09 68.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.646 1.179 . . . . 0.0 112.335 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.18 -40.01 82.36 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 122.333 1.063 . . . . 0.0 112.917 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.1 mm -67.07 -40.34 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.161 1.385 . . . . 0.0 110.796 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -34.16 71.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.803 0.841 . . . . 0.0 111.065 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.44 -46.35 86.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.438 1.095 . . . . 0.0 111.415 170.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -31.54 72.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.925 0.89 . . . . 0.0 113.178 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.82 -22.84 66.58 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.549 1.54 . . . . 0.0 113.706 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.54 -25.04 67.83 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -157.78 50.1 0.42 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.287 1.035 . . . . 0.0 113.388 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.4 mt -48.24 -45.49 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.865 1.266 . . . . 0.0 113.579 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.855 1.662 . . . . 0.0 112.258 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.32 156.6 18.0 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.947 1.299 . . . . 0.0 112.55 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.92 111.37 15.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.527 1.131 . . . . 0.0 112.196 -157.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.63 92.74 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.221 1.808 . . . . 0.0 109.195 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -104.21 120.3 40.85 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.225 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mp -120.24 169.86 9.87 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.901 2.481 . . . . 0.0 110.675 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -140.67 77.34 1.6 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.643 1.977 . . . . 0.0 110.674 -173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -74.47 178.45 5.27 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.21 1.404 . . . . 0.0 112.093 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -131.26 178.21 6.88 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.927 1.291 . . . . 0.0 110.733 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.09 -47.84 53.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.956 -169.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.19 -51.23 70.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.521 0.728 . . . . 0.0 112.468 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -59.05 -46.41 88.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.957 1.303 . . . . 0.0 111.344 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -69.57 -41.24 76.11 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.538 -0.726 . . . . 0.0 112.373 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.53 -34.76 70.32 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.507 -0.746 . . . . 0.0 112.67 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -65.9 -37.0 84.94 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.892 -1.13 . . . . 0.0 112.548 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.36 -44.33 96.73 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.595 -0.691 . . . . 0.0 112.639 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.59 -35.6 74.62 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.698 1.199 . . . . 0.0 113.516 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -63.74 -37.46 87.43 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.34 0.656 . . . . 0.0 112.514 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 72.8 mtm -74.76 -42.89 57.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.131 0.973 . . . . 0.0 112.153 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.13 84.28 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.675 0.79 . . . . 0.0 112.658 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.61 -29.05 69.8 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.846 -1.159 . . . . 0.0 113.586 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.29 -29.96 66.84 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.942 1.297 . . . . 0.0 112.763 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -82.21 -7.17 59.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.604 1.962 . . . . 0.0 113.013 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 85.05 38.52 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.341 3.056 . . . . 0.0 113.16 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 69.09 125.11 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.997 3.319 . . . . 0.0 114.053 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -171.06 17.52 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.87 . . . . 0.0 114.21 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.4 m -42.86 -48.65 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -161.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.38 -41.48 99.54 Favored Glycine 0 N--CA 1.476 1.313 0 CA-C-N 119.64 1.109 . . . . 0.0 113.104 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 72.6 m -70.27 -34.88 73.33 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.647 -0.914 . . . . 0.0 112.361 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -62.4 -40.91 98.03 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.404 1.002 . . . . 0.0 112.193 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.19 -46.52 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.683 1.193 . . . . 0.0 109.776 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.27 -48.55 70.1 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.208 0.527 . . . . 0.0 112.398 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 49.1 ttt85 -51.6 -41.15 61.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.584 1.954 . . . . 0.0 112.627 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -38.95 69.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.987 0.915 . . . . 0.0 112.468 -177.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mm -61.56 -44.45 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.571 1.148 . . . . 0.0 110.535 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.69 -34.41 73.89 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.673 -0.642 . . . . 0.0 110.812 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -66.19 -40.97 90.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.439 1.096 . . . . 0.0 112.319 173.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.86 81.83 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.713 -0.617 . . . . 0.0 112.573 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -32.03 72.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.343 1.057 . . . . 0.0 112.287 -175.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -62.36 -21.72 65.54 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.911 1.284 . . . . 0.0 114.417 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.595 1.158 . . . . 0.0 112.448 171.669 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 121.19 0.519 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 135.26 46.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.684 1.594 . . . . 0.0 110.855 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.33 94.75 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 126.178 1.791 . . . . 0.0 108.148 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 t -113.24 112.84 24.42 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.962 1.705 . . . . 0.0 111.179 -170.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.51 170.61 15.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.408 1.083 . . . . 0.0 112.979 -162.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -125.59 86.5 2.55 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.267 1.827 . . . . 0.0 109.563 -167.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -81.7 168.11 18.44 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 110.76 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.0 m -107.07 165.21 11.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.615 0.766 . . . . 0.0 111.619 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -54.35 -45.78 72.8 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.76 -51.4 67.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.13 -42.95 91.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.486 1.114 . . . . 0.0 111.226 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -66.5 -45.09 80.75 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.519 0.728 . . . . 0.0 112.704 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.14 -41.4 88.22 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.124 0.969 . . . . 0.0 112.155 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.43 -42.82 92.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.728 1.211 . . . . 0.0 111.975 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.86 -45.04 91.25 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 172.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.35 -38.61 87.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.732 0.813 . . . . 0.0 112.902 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.03 -41.2 96.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.363 1.065 . . . . 0.0 111.086 176.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.05 -42.41 66.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 112.405 172.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.01 68.5 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.297 1.439 . . . . 0.0 112.998 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.444 1.02 . . . . 0.0 113.134 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -76.87 -16.67 59.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.906 1.283 . . . . 0.0 113.021 174.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -98.5 1.87 47.06 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.647 1.979 . . . . 0.0 111.932 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 70.32 59.67 0.24 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.658 2.383 . . . . 0.0 112.345 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.286 10.0 pt-20 48.12 83.74 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.383 3.073 . . . . 0.0 115.175 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -141.8 59.83 1.48 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.845 1.658 . . . . 0.0 108.63 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.34 138.66 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.171 -0.956 . . . . 0.0 110.922 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.73 -45.34 2.72 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.457 1.503 . . . . 0.0 111.505 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 m -62.09 -40.47 95.94 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.479 -1.012 . . . . 0.0 111.286 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -59.29 -43.47 92.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.89 0.876 . . . . 0.0 112.143 172.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -51.32 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 124.749 1.22 . . . . 0.0 109.57 172.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.33 -48.74 78.52 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.341 0.656 . . . . 0.0 109.964 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -56.76 -38.2 72.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.996 0.918 . . . . 0.0 113.321 174.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -40.91 91.32 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.773 1.17 . . . . 0.0 112.154 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.33 -43.47 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.692 1.597 . . . . 0.0 110.178 174.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.42 -34.82 72.94 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 111.26 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -59.11 -49.07 79.28 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.017 1.727 . . . . 0.0 110.734 169.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.654 1.182 . . . . 0.0 113.774 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -29.86 70.4 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.47 1.508 . . . . 0.0 112.886 -173.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -65.8 -23.53 66.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.344 1.857 . . . . 0.0 113.694 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -145.36 30.86 1.11 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.689 1.596 . . . . 0.0 114.834 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.8 mt -49.61 -41.59 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.055 0.942 . . . . 0.0 112.261 172.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.7 2.0 . . . . 0.0 112.794 177.241 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -85.72 168.03 14.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 111.716 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.91 118.83 22.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.285 1.834 . . . . 0.0 109.681 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 t -130.32 95.73 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.168 1.787 . . . . 0.0 108.845 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -108.11 116.61 32.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.502 1.521 . . . . 0.0 112.731 -177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.26 157.14 18.15 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.901 1.68 . . . . 0.0 110.344 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -129.71 88.52 2.69 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.329 1.452 . . . . 0.0 111.168 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -84.32 166.74 17.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.757 1.623 . . . . 0.0 112.467 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 72.1 p -132.74 87.4 2.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 122.146 0.974 . . . . 0.0 112.483 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 58.04 -77.67 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.379 2.672 . . . . 0.0 113.675 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -51.88 62.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.822 1.649 . . . . 0.0 112.612 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -57.68 -43.6 85.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.664 1.185 . . . . 0.0 112.201 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -65.71 -41.08 92.75 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.84 0.745 . . . . 0.0 112.573 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -37.42 85.69 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.683 0.793 . . . . 0.0 112.393 177.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -60.46 -43.91 96.42 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.126 0.875 . . . . 0.0 111.019 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 -43.45 91.21 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.58 -38.05 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -67.46 -37.66 83.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.658 1.183 . . . . 0.0 112.348 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 45.0 mtp -64.98 -52.21 57.49 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.164 1.786 . . . . 0.0 110.196 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.529 ' HB3' ' H ' ' B' ' 56' ' ' SER . . . -57.75 -35.8 71.22 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.96 1.704 . . . . 0.0 114.077 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.68 -26.12 66.87 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.033 0.833 . . . . 0.0 112.993 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -72.72 -27.6 62.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.095 0.958 . . . . 0.0 113.242 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.64 -0.91 57.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.753 1.221 . . . . 0.0 112.726 166.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.9 53.42 0.14 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 128.488 2.715 . . . . 0.0 112.41 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 73.15 102.14 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 129.024 2.93 . . . . 0.0 114.066 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.529 ' H ' ' HB3' ' B' ' 50' ' ' ALA . 30.6 p -152.99 30.29 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.894 2.877 . . . . 0.0 110.893 -169.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.77 118.41 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 120.387 -1.445 . . . . 0.0 111.401 -167.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.81 -47.22 1.32 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.587 1.565 . . . . 0.0 111.498 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -59.16 -35.62 73.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.066 -1.255 . . . . 0.0 111.637 169.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.1 -37.19 86.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.856 0.862 . . . . 0.0 112.886 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -49.68 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.124 0.97 . . . . 0.0 109.558 173.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -60.16 -50.35 74.03 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 123.299 0.64 . . . . 0.0 110.473 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -48.24 -47.65 35.72 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -43.47 77.05 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.129 1.372 . . . . 0.0 112.798 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 19.2 mm -66.0 -39.47 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 125.049 1.34 . . . . 0.0 110.193 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.62 -27.53 51.17 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.385 1.074 . . . . 0.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -63.02 -45.77 90.75 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.941 1.696 . . . . 0.0 111.523 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.12 85.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.672 0.789 . . . . 0.0 112.697 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -30.01 71.12 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.259 1.424 . . . . 0.0 113.068 -173.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.39 -24.8 65.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.774 1.23 . . . . 0.0 113.819 173.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 125.201 1.401 . . . . 0.0 113.539 170.007 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.495 0.188 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 137.69 58.26 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.554 1.142 . . . . 0.0 112.231 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.1 t -130.91 86.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.424 1.89 . . . . 0.0 108.991 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -106.25 106.29 16.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.475 1.11 . . . . 0.0 111.406 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -132.17 165.26 24.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.807 1.643 . . . . 0.0 112.75 -168.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -135.81 84.08 2.06 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.0 1.72 . . . . 0.0 109.716 -164.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -76.89 172.83 12.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.01 1.724 . . . . 0.0 110.944 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -108.3 160.79 15.58 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.625 0.77 . . . . 0.0 111.282 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.61 -50.54 62.86 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 123.262 0.625 . . . . 0.0 112.376 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.42 -49.29 77.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.021 0.828 . . . . 0.0 112.373 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -57.6 -47.03 83.29 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.65 1.18 . . . . 0.0 111.397 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -68.36 -48.53 64.56 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.659 0.783 . . . . 0.0 111.884 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -38.0 84.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.638 1.175 . . . . 0.0 112.129 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -44.35 85.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.102 0.864 . . . . 0.0 111.532 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.36 -37.75 74.65 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.74 -41.78 98.1 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.342 1.057 . . . . 0.0 112.428 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.16 -36.7 82.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.573 1.149 . . . . 0.0 112.207 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.5 mtm -72.47 -41.61 65.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.704 1.201 . . . . 0.0 112.128 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.38 66.74 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.683 1.193 . . . . 0.0 113.584 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -56.67 -26.52 56.55 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.591 1.087 . . . . 0.0 113.251 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.26 -31.04 67.04 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.006 0.922 . . . . 0.0 112.962 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.62 2.47 53.08 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.205 2.202 . . . . 0.0 112.863 169.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 72.87 46.72 0.24 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.048 2.539 . . . . 0.0 113.074 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 55.19 83.31 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.777 3.231 . . . . 0.0 115.041 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 t -136.91 62.97 1.58 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.24 1.816 . . . . 0.0 109.65 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.83 -41.87 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.884 1.273 . . . . 0.0 112.806 -165.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.96 99.71 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.3 0.952 . . . . 0.0 112.644 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -68.37 -40.24 81.52 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.597 -0.943 . . . . 0.0 111.327 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.511 0.724 . . . . 0.0 111.724 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -51.64 -60.69 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.817 1.247 . . . . 0.0 109.039 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -62.29 -45.03 95.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.52 0.2 . . . . 0.0 111.092 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -50.12 -43.29 51.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.732 2.013 . . . . 0.0 111.221 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -36.34 71.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.412 1.006 . . . . 0.0 113.413 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.98 -48.54 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.735 1.614 . . . . 0.0 109.6 169.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -37.67 81.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.955 1.302 . . . . 0.0 110.949 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.86 -47.2 86.12 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.674 1.99 . . . . 0.0 111.226 173.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.23 80.3 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 112.627 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -24.13 65.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.509 1.923 . . . . 0.0 113.673 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -57.72 -34.02 69.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.043 0.937 . . . . 0.0 113.196 173.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -153.74 56.47 0.74 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.158 1.383 . . . . 0.0 112.624 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.72 -55.19 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.434 1.494 . . . . 0.0 113.336 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.943 1.697 . . . . 0.0 113.096 -174.644 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.84 171.4 15.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.049 1.74 . . . . 0.0 111.393 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.89 119.08 21.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.57 1.548 . . . . 0.0 110.556 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.28 100.52 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 126.815 2.046 . . . . 0.0 107.884 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -121.85 98.89 6.16 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.839 1.655 . . . . 0.0 111.012 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -120.34 175.73 5.82 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.251 1.821 . . . . 0.0 113.538 -173.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.58 91.38 2.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.988 2.515 . . . . 0.0 109.17 -164.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -78.79 170.19 17.06 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.664 0.786 . . . . 0.0 111.141 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -108.26 168.13 9.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.856 0.862 . . . . 0.0 111.819 162.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.57 -46.87 67.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.412 1.085 . . . . 0.0 112.68 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.82 -54.45 45.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.326 1.05 . . . . 0.0 112.041 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -53.51 -45.83 69.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.073 1.749 . . . . 0.0 111.705 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -70.08 -42.37 72.85 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.342 0.657 . . . . 0.0 112.116 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -64.46 -38.1 89.83 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.507 1.123 . . . . 0.0 112.489 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -50.46 73.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.641 1.176 . . . . 0.0 110.332 171.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.75 -29.2 66.51 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.37 -41.42 89.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.257 1.023 . . . . 0.0 112.841 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -63.34 -36.28 83.17 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.635 0.774 . . . . 0.0 111.956 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 77.9 mtp -67.72 -46.47 72.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.566 1.546 . . . . 0.0 111.567 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.24 -26.55 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.252 1.421 . . . . 0.0 113.943 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.98 -27.09 65.05 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.248 1.385 . . . . 0.0 113.086 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.35 -29.12 63.5 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.272 1.029 . . . . 0.0 112.562 172.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -89.21 7.33 35.89 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.725 2.01 . . . . 0.0 112.182 168.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.55 45.19 1.14 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.739 2.416 . . . . 0.0 113.787 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 57.51 80.7 0.16 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.83 3.252 . . . . 0.0 113.601 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -136.9 43.75 2.37 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.616 1.966 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -43.58 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.435 1.894 . . . . 0.0 114.725 -168.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.18 88.07 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 124.23 0.919 . . . . 0.0 112.438 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -68.0 -44.79 75.77 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 123.567 0.747 . . . . 0.0 111.399 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.34 89.02 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.371 0.987 . . . . 0.0 112.229 -178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 32.3 mt -57.17 -45.39 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.937 1.295 . . . . 0.0 110.191 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.48 -62.16 1.94 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.652 0.381 . . . . 0.0 110.204 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -53.92 -29.46 42.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.999 2.12 . . . . 0.0 114.145 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.72 -38.94 93.01 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.258 1.39 . . . . 0.0 112.654 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.5 mt -71.76 -41.72 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 126.49 1.916 . . . . 0.0 110.978 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 mt -64.84 -36.45 84.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.278 0.944 . . . . 0.0 110.933 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.95 -44.44 94.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.188 2.195 . . . . 0.0 111.709 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.28 92.74 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.767 0.827 . . . . 0.0 112.613 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -24.89 68.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.828 1.651 . . . . 0.0 113.303 -176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -53.62 -39.38 64.88 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.32 1.048 . . . . 0.0 112.266 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 126.127 1.771 . . . . 0.0 111.372 178.449 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 121.171 0.51 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 118.93 7.35 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.662 1.585 . . . . 0.0 112.079 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -130.96 94.9 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.076 1.75 . . . . 0.0 108.981 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -108.6 124.84 51.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.855 1.662 . . . . 0.0 112.707 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -124.19 171.54 9.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.775 2.03 . . . . 0.0 111.988 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -129.88 80.94 1.99 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.489 1.915 . . . . 0.0 109.212 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -75.03 161.87 29.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.17 1.788 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.51 161.07 15.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.718 -0.614 . . . . 0.0 110.943 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -54.56 -40.07 68.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.618 0.367 . . . . 0.0 111.822 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.75 -53.43 58.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.878 1.271 . . . . 0.0 112.103 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.2 -43.92 87.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.229 1.412 . . . . 0.0 111.487 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.5 -51.46 69.36 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.468 1.507 . . . . 0.0 111.338 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.77 -41.22 97.41 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.244 1.418 . . . . 0.0 112.76 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -60.14 -42.39 94.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.769 0.827 . . . . 0.0 111.129 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -35.38 79.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 174.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.23 -42.08 96.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.503 -0.748 . . . . 0.0 112.611 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -65.2 -32.21 73.77 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.161 -0.962 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.0 mtm -70.62 -44.95 66.17 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.572 1.549 . . . . 0.0 112.483 167.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -57.05 -28.58 62.67 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.028 1.331 . . . . 0.0 113.8 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -57.7 -27.29 62.79 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.853 0.861 . . . . 0.0 113.097 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.64 -29.55 65.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.794 1.238 . . . . 0.0 112.997 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -93.55 3.6 55.28 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.027 1.731 . . . . 0.0 112.596 169.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 70.17 53.98 0.34 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.198 2.599 . . . . 0.0 112.526 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 62.23 95.45 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.102 2.961 . . . . 0.0 113.941 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.508 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 t -149.41 39.07 0.8 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.401 1.48 . . . . 0.0 110.574 -177.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -53.9 128.79 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.461 0.705 . . . . 0.0 109.92 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.5 -54.01 0.56 Allowed Glycine 0 N--CA 1.473 1.113 0 C-N-CA 124.603 1.097 . . . . 0.0 111.394 -170.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -71.45 -38.98 71.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.454 0.702 . . . . 0.0 111.643 171.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.02 -39.14 88.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.41 0.684 . . . . 0.0 112.446 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.15 -55.89 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.169 1.387 . . . . 0.0 109.615 171.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -55.3 -56.12 23.64 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 124.419 1.088 . . . . 0.0 110.071 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.91 -45.41 30.73 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.24 1.816 . . . . 0.0 111.865 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.79 -44.92 79.99 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.801 0.81 . . . . 0.0 112.639 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.2 -43.25 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.033 1.733 . . . . 0.0 110.351 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -32.91 68.71 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 110.593 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.42 -46.44 83.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.708 1.603 . . . . 0.0 111.901 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.14 93.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.681 0.793 . . . . 0.0 112.363 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.92 -14.59 63.08 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.25 1.82 . . . . 0.0 113.963 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.82 -37.4 71.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.464 1.106 . . . . 0.0 112.397 164.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -160.13 70.25 0.43 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.724 2.009 . . . . 0.0 112.783 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mm -54.86 -36.58 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.394 1.078 . . . . 0.0 112.202 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 128.599 2.759 . . . . 0.0 114.945 175.815 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -93.68 99.03 11.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.608 1.563 . . . . 0.0 112.33 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.36 122.48 14.66 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.979 1.712 . . . . 0.0 110.969 166.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.57 95.76 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 127.657 2.383 . . . . 0.0 109.059 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.8 t -115.8 136.91 52.6 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.882 1.273 . . . . 0.0 112.741 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.93 162.66 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 111.492 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -124.21 91.35 3.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.484 1.914 . . . . 0.0 109.777 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -79.52 175.74 10.33 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.343 1.457 . . . . 0.0 112.498 174.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -110.61 171.75 7.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.357 1.063 . . . . 0.0 111.408 168.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -58.26 -35.99 72.59 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.68 -59.29 5.63 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.216 . . . . 0.0 112.238 174.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.04 -50.12 20.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.373 2.269 . . . . 0.0 112.069 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -65.6 -44.29 87.03 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.399 1.08 . . . . 0.0 112.528 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.63 -33.97 71.58 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.69 -0.631 . . . . 0.0 112.481 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.08 -43.92 97.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.138 0.881 . . . . 0.0 111.198 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.93 -43.74 94.75 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.38 -41.51 89.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -68.31 -32.0 71.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.292 1.037 . . . . 0.0 113.077 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 34.7 mtp -72.07 -46.26 57.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.065 1.746 . . . . 0.0 111.192 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.23 -20.06 63.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.873 1.669 . . . . 0.0 114.017 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.18 -28.18 51.08 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.82 1.191 . . . . 0.0 113.0 167.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.99 -31.69 68.3 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.082 0.953 . . . . 0.0 112.608 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -86.12 2.72 45.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.934 2.094 . . . . 0.0 112.941 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 70.08 43.96 0.83 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.732 2.413 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 54.4 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.459 3.504 . . . . 0.0 116.039 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.39 -46.58 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.133 1.373 . . . . 0.0 111.603 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 t 71.68 140.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 129.243 3.017 . . . . 0.0 113.137 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.51 -42.81 3.14 Favored Glycine 0 N--CA 1.471 0.992 0 C-N-CA 126.151 1.834 . . . . 0.0 111.501 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -59.13 -37.01 76.23 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.822 1.249 . . . . 0.0 112.015 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.86 -41.35 97.74 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.131 0.972 . . . . 0.0 112.223 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -49.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.298 1.439 . . . . 0.0 109.709 175.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -60.63 -54.46 45.11 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 123.015 0.526 . . . . 0.0 109.944 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -53.18 -39.77 63.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.293 1.037 . . . . 0.0 112.648 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.61 -46.62 75.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.014 1.326 . . . . 0.0 112.757 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.8 mm -62.37 -44.68 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 125.768 1.627 . . . . 0.0 109.531 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mp -68.6 -36.74 79.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.434 1.094 . . . . 0.0 110.664 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.78 -45.56 92.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.654 1.582 . . . . 0.0 111.749 172.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.8 91.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.688 0.795 . . . . 0.0 112.538 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -29.52 67.51 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.288 1.835 . . . . 0.0 113.044 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -54.56 -35.02 62.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.979 1.711 . . . . 0.0 112.962 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.7 pttt . . . . . 0 N--CA 1.475 0.778 0 C-N-CA 126.221 1.808 . . . . 0.0 113.371 -175.215 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 . . . . . 0 CA--C 1.54 0.586 0 CA-C-O 121.409 0.624 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 128.68 37.76 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 111.121 166.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.8 t -145.97 118.59 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.618 1.567 . . . . 0.0 110.077 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 t -123.48 128.66 50.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.51 1.924 . . . . 0.0 112.611 -170.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -130.59 166.94 19.56 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.999 1.719 . . . . 0.0 112.867 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -118.48 84.35 2.17 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 127.026 2.13 . . . . 0.0 110.44 -170.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -77.59 -179.4 5.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.812 2.045 . . . . 0.0 112.235 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 t -134.9 166.12 23.73 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.834 0.854 . . . . 0.0 112.395 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.69 -51.52 37.74 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.873 1.669 . . . . 0.0 112.759 -164.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.07 -52.46 64.19 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.171 1.388 . . . . 0.0 113.231 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -61.22 -40.46 94.09 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.207 1.003 . . . . 0.0 111.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -69.3 -50.11 49.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.586 0.708 . . . . 0.0 112.315 177.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -37.8 87.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.243 -176.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -67.25 -38.94 86.0 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.243 -0.911 . . . . 0.0 112.207 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.18 -28.97 64.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.36 -44.57 82.84 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.386 1.075 . . . . 0.0 113.003 166.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -63.79 -34.68 78.44 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.434 -0.791 . . . . 0.0 112.41 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.1 mtp -68.26 -38.42 81.73 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.759 1.224 . . . . 0.0 112.16 171.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.53 -20.61 64.81 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -58.28 -22.72 53.74 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 119.912 1.233 . . . . 0.0 113.712 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -66.74 -32.82 74.36 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.374 1.47 . . . . 0.0 112.846 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -94.97 5.14 52.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.715 2.406 . . . . 0.0 113.17 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 65.82 47.12 2.14 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.123 2.169 . . . . 0.0 113.1 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 60.1 98.19 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.761 3.225 . . . . 0.0 114.383 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.459 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 73.2 m -138.76 38.48 2.19 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.581 2.352 . . . . 0.0 109.585 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.64 113.83 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.24 1.416 . . . . 0.0 109.732 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.97 -58.15 0.65 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 125.582 1.563 . . . . 0.0 111.035 -171.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m -65.06 -38.18 89.97 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.96 -0.73 . . . . 0.0 112.134 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -42.38 98.74 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.46 -0.775 . . . . 0.0 111.47 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.1 mt -57.36 -47.59 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.866 0.866 . . . . 0.0 110.504 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -59.98 -52.5 65.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.945 0.498 . . . . 0.0 110.976 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.28 -27.51 65.89 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.12 -33.03 74.86 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.53 -1.356 . . . . 0.0 113.118 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.3 mm -67.44 -41.77 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.145 1.378 . . . . 0.0 110.784 167.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.03 -34.6 73.46 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.502 -0.749 . . . . 0.0 111.164 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.11 -34.01 75.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.683 1.993 . . . . 0.0 112.547 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.63 -33.14 35.98 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 171.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -18.74 65.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.614 -168.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -55.1 -21.77 14.09 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -97.97 -2.61 40.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.807 1.243 . . . . 0.0 114.238 173.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -116.55 -23.13 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 126.882 2.073 . . . . 0.0 112.929 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.293 2.237 . . . . 0.0 113.021 170.179 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.47 171.26 8.67 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.876 1.271 . . . . 0.0 111.313 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.34 132.01 35.04 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.539 1.136 . . . . 0.0 111.789 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -136.48 95.04 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.548 1.939 . . . . 0.0 109.385 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.8 t -106.64 127.17 53.13 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.212 1.005 . . . . 0.0 111.236 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.56 165.79 24.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.933 1.693 . . . . 0.0 110.995 -169.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -131.5 75.36 1.65 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.303 1.441 . . . . 0.0 111.347 -174.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.78 176.54 0.52 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.841 1.256 . . . . 0.0 112.643 168.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.8 p -128.36 169.49 14.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.517 1.127 . . . . 0.0 111.533 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.76 -40.56 63.25 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -166.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.61 -55.83 26.42 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.066 1.346 . . . . 0.0 113.063 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -57.85 -40.28 79.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.712 1.205 . . . . 0.0 112.048 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -67.51 -44.08 79.31 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.411 1.085 . . . . 0.0 112.168 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -66.16 -40.77 90.79 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.954 0.902 . . . . 0.0 112.871 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -36.79 75.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.918 0.887 . . . . 0.0 112.207 173.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -39.32 47.33 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.9 -39.11 84.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.917 1.287 . . . . 0.0 112.825 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.89 -39.44 89.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.605 1.162 . . . . 0.0 111.705 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -39.72 83.43 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.438 1.095 . . . . 0.0 112.585 173.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.51 -21.55 64.32 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.99 -24.76 55.93 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 121.147 -0.971 . . . . 0.0 113.559 168.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.04 -15.76 61.07 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.446 1.898 . . . . 0.0 113.634 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.03 9.65 11.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.578 2.351 . . . . 0.0 111.677 174.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.19 62.93 0.68 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.392 2.277 . . . . 0.0 113.214 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.26 9.5 pt-20 47.64 81.66 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.309 2.644 . . . . 0.0 115.189 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -137.62 46.0 2.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.293 1.837 . . . . 0.0 109.908 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.71 112.28 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.548 1.139 . . . . 0.0 110.426 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.27 -54.85 0.74 Allowed Glycine 0 N--CA 1.477 1.379 0 C-N-CA 125.188 1.375 . . . . 0.0 111.755 -171.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.4 m -62.39 -37.75 86.96 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.053 -1.263 . . . . 0.0 111.205 167.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.53 -40.74 95.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 15.6 mt -56.16 -53.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.761 1.224 . . . . 0.0 109.734 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -61.9 -50.28 72.84 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.868 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -56.65 -37.66 71.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.53 0.732 . . . . 0.0 112.028 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -44.62 66.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.23 0.923 . . . . 0.0 112.689 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.29 -45.31 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.066 1.346 . . . . 0.0 109.309 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -33.2 65.86 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.348 1.059 . . . . 0.0 110.744 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.94 -40.27 87.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.096 0.958 . . . . 0.0 112.466 171.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.45 86.69 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.553 -0.717 . . . . 0.0 112.397 171.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -21.58 65.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.931 1.692 . . . . 0.0 114.013 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -60.13 -26.35 66.19 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 76.9 tttt . . . . . 0 CA--C 1.552 1.056 0 C-N-CA 124.41 1.084 . . . . 0.0 113.105 177.779 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 122.032 0.92 . . . . 0.0 111.744 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.84 106.83 8.7 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.548 1.939 . . . . 0.0 109.752 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.93 78.63 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.763 1.225 . . . . 0.0 109.545 -157.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -108.22 121.54 45.08 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.039 1.335 . . . . 0.0 112.339 -164.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.87 166.25 23.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.807 2.043 . . . . 0.0 112.152 -174.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -128.66 89.09 2.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.982 2.113 . . . . 0.0 110.137 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.32 174.73 10.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.257 1.423 . . . . 0.0 111.879 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -120.21 157.84 28.24 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.128 0.971 . . . . 0.0 110.878 172.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.94 -43.95 70.24 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 123.819 0.847 . . . . 0.0 113.074 -168.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.32 -53.76 54.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.146 0.885 . . . . 0.0 112.544 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -60.81 -39.33 88.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.973 0.909 . . . . 0.0 112.137 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -66.96 -53.34 32.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.452 0.701 . . . . 0.0 111.884 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -40.29 88.13 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 111.826 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -59.34 -39.91 84.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.113 0.87 . . . . 0.0 112.479 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.63 -30.32 61.6 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.346 0.975 . . . . 0.0 113.489 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.1 -44.64 91.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.428 -0.795 . . . . 0.0 112.266 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -62.97 -35.63 80.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.367 1.467 . . . . 0.0 112.002 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mmm -66.91 -49.38 65.75 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.845 2.058 . . . . 0.0 111.621 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.39 66.26 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -57.48 -24.83 58.06 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.572 1.078 . . . . 0.0 112.912 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.81 -35.59 74.95 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.16 0.984 . . . . 0.0 112.935 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 1.48 33.13 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.321 1.848 . . . . 0.0 112.706 168.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 76.48 40.54 0.22 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.48 2.712 . . . . 0.0 113.085 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.66 100.14 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 129.493 3.117 . . . . 0.0 113.951 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.2 p -147.37 37.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.008 2.123 . . . . 0.0 112.168 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -48.57 -47.26 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 125.106 1.362 . . . . 0.0 114.529 -160.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.2 -41.22 99.42 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.624 0.63 . . . . 0.0 113.098 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 m -69.44 -39.29 77.91 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.539 -0.977 . . . . 0.0 111.324 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.88 -42.64 89.98 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.761 0.824 . . . . 0.0 111.515 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.4 -59.35 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.437 1.095 . . . . 0.0 109.167 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.92 -42.75 99.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -55.2 -42.32 73.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.773 2.029 . . . . 0.0 112.275 174.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -40.35 82.53 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.363 0.983 . . . . 0.0 111.815 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.6 -44.8 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.847 1.659 . . . . 0.0 110.15 173.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.58 -37.34 79.77 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.905 0.882 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.05 -41.87 99.58 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.525 1.53 . . . . 0.0 112.133 173.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.43 92.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.798 0.839 . . . . 0.0 111.612 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.0 -32.82 73.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.662 1.185 . . . . 0.0 112.25 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -18.29 8.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.102 2.161 . . . . 0.0 115.024 169.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -115.07 -31.53 6.01 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.013 2.125 . . . . 0.0 113.354 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.4 -47.36 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.054 1.742 . . . . 0.0 111.103 172.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.683 1.593 . . . . 0.0 113.567 178.338 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.84 167.77 19.54 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.044 1.338 . . . . 0.0 112.781 169.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.13 113.33 12.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.844 2.058 . . . . 0.0 109.22 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.61 93.24 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.815 1.646 . . . . 0.0 109.081 -163.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -122.62 107.85 12.43 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.375 1.47 . . . . 0.0 111.547 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.59 177.7 4.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.495 1.918 . . . . 0.0 111.955 -174.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -138.68 84.41 2.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.528 1.931 . . . . 0.0 109.454 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.77 178.91 1.55 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.808 1.243 . . . . 0.0 111.076 170.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.436 ' H ' ' HG3' ' B' ' 42' ' ' GLN . 11.1 t -128.12 170.57 12.8 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.597 1.159 . . . . 0.0 109.906 164.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.31 -51.52 53.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 0.0 113.016 -160.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.85 -66.77 0.37 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.919 1.287 . . . . 0.0 112.408 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . 0.436 ' HG3' ' H ' ' B' ' 39' ' ' SER . 4.5 pt20 -59.1 -24.45 62.96 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.252 1.421 . . . . 0.0 114.578 -175.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.77 -55.89 6.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.297 1.039 . . . . 0.0 111.557 168.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -28.41 70.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.025 0.93 . . . . 0.0 112.86 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -31.73 73.02 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.953 1.701 . . . . 0.0 111.094 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.36 -38.45 22.0 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 166.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -57.93 -37.8 74.76 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.215 -0.928 . . . . 0.0 113.335 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -33.98 76.65 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.617 1.167 . . . . 0.0 112.354 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 70.5 mtm -74.71 -42.81 57.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.483 1.113 . . . . 0.0 111.739 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.13 67.49 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.29 -26.9 66.86 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.143 -0.973 . . . . 0.0 113.299 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.69 -32.02 67.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.288 1.035 . . . . 0.0 112.759 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -80.34 -1.6 41.8 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.006 1.722 . . . . 0.0 112.659 168.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 79.46 42.41 0.07 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 128.926 2.89 . . . . 0.0 112.43 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 63.22 101.97 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 129.246 3.018 . . . . 0.0 114.178 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.9 p -149.88 26.76 0.81 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.465 1.906 . . . . 0.0 112.66 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . 0.29 3.6 p -56.31 -32.92 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 120.597 1.544 . . . . 0.0 114.778 -162.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.41 -41.4 63.13 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.617 1.103 . . . . 0.0 114.008 171.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -81.82 -35.43 29.45 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.617 1.567 . . . . 0.0 112.802 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -57.62 -41.54 81.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.288 1.035 . . . . 0.0 111.584 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.1 mt -51.62 -58.19 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.329 1.852 . . . . 0.0 108.894 174.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -52.55 65.16 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.42 0.688 . . . . 0.0 111.534 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -54.68 -37.21 65.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 0.0 111.765 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.19 -43.39 61.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 113.381 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.25 -45.56 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.004 1.722 . . . . 0.0 109.602 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -37.16 75.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.532 1.133 . . . . 0.0 110.171 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.93 -43.45 94.94 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.655 1.182 . . . . 0.0 112.049 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.75 89.19 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.502 0.721 . . . . 0.0 112.466 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -25.8 67.68 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.448 1.899 . . . . 0.0 113.796 -177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.08 -25.13 63.51 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.182 0.993 . . . . 0.0 113.498 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 126.194 1.798 . . . . 0.0 113.536 -172.733 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 . . . . . 0 CA--C 1.544 0.735 0 CA-C-O 121.714 0.769 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.82 126.89 29.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.578 1.151 . . . . 0.0 111.397 169.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.7 t -144.65 118.7 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.12 1.768 . . . . 0.0 109.147 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -124.97 136.83 54.1 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 126.105 1.762 . . . . 0.0 112.593 -165.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -136.66 163.41 30.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.019 1.727 . . . . 0.0 112.096 -168.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -122.22 89.86 3.19 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.727 1.611 . . . . 0.0 111.022 -174.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -83.68 176.3 9.08 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.136 2.175 . . . . 0.0 112.596 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.0 p -128.57 168.7 15.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.511 1.524 . . . . 0.0 112.043 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.26 -53.04 18.55 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.972 0.909 . . . . 0.0 113.391 -173.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.99 -49.97 74.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.745 0.818 . . . . 0.0 112.599 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.98 -38.32 88.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 0.0 112.297 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -70.71 -51.09 29.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.53 1.132 . . . . 0.0 111.86 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -37.24 86.94 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.36 1.064 . . . . 0.0 113.193 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -64.65 -29.07 70.06 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.129 -0.982 . . . . 0.0 112.926 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.73 -37.1 42.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.75 -43.2 99.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.941 0.896 . . . . 0.0 113.258 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.3 -28.23 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.538 -0.726 . . . . 0.0 112.765 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.6 mtm -69.19 -43.23 74.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.118 0.967 . . . . 0.0 111.283 167.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -60.83 -28.39 68.78 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.37 -24.55 60.24 Favored 'General case' 0 CA--C 1.555 1.144 0 O-C-N 121.027 -1.046 . . . . 0.0 113.715 170.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -32.96 72.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.994 1.317 . . . . 0.0 113.259 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.02 -1.03 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.752 2.021 . . . . 0.0 113.306 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 75.03 43.23 0.22 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.917 2.487 . . . . 0.0 112.909 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 69.56 111.92 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 130.058 3.343 . . . . 0.0 114.27 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 83.8 p -151.99 25.28 0.64 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.961 2.104 . . . . 0.0 111.327 -173.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.9 116.97 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.807 1.243 . . . . 0.0 110.476 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.82 -51.66 0.73 Allowed Glycine 0 N--CA 1.476 1.31 0 C-N-CA 125.357 1.456 . . . . 0.0 111.916 -169.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -72.22 -41.19 67.15 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.813 -0.816 . . . . 0.0 112.139 170.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.93 -39.63 78.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.858 -0.526 . . . . 0.0 111.784 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.81 -52.07 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.483 1.513 . . . . 0.0 110.555 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -47.96 78.54 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.623 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.08 -37.9 62.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.232 1.013 . . . . 0.0 113.4 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -37.7 77.34 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.479 1.111 . . . . 0.0 112.453 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.5 mm -68.05 -43.28 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.785 1.234 . . . . 0.0 111.055 170.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -37.14 81.8 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.358 -0.839 . . . . 0.0 110.187 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.14 -39.32 92.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.328 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.34 83.84 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.2 mt -67.79 -25.63 65.69 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.112 1.365 . . . . 0.0 113.071 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -64.79 -21.61 66.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 169.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -152.88 48.03 0.72 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.469 1.108 . . . . 0.0 113.456 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.7 mt -48.55 -37.75 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.185 1.394 . . . . 0.0 113.47 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 126.824 2.05 . . . . 0.0 110.818 177.786 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -87.79 165.55 15.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.124 0.97 . . . . 0.0 111.596 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.29 129.3 44.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.305 1.442 . . . . 0.0 110.318 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -133.93 91.98 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.073 1.749 . . . . 0.0 109.315 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -98.51 133.79 42.38 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.01 0.924 . . . . 0.0 111.497 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.07 162.52 28.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.677 1.991 . . . . 0.0 110.434 -173.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -133.63 77.56 1.73 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.95 1.7 . . . . 0.0 109.812 -169.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.87 -175.55 3.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.736 1.614 . . . . 0.0 112.449 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -127.97 169.29 14.16 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.194 0.998 . . . . 0.0 111.876 163.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -50.18 -41.92 50.19 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 112.838 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.87 -53.91 53.06 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.626 1.17 . . . . 0.0 113.289 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.48 -42.16 98.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.074 0.549 . . . . 0.0 111.535 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.72 -44.55 66.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.997 0.519 . . . . 0.0 112.337 -178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -35.63 77.21 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.4 -0.813 . . . . 0.0 112.387 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -66.23 -38.24 87.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 174.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -38.29 79.64 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.75 -39.63 92.29 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.682 1.193 . . . . 0.0 113.026 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.58 -34.28 77.88 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.597 0.759 . . . . 0.0 111.758 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.81 72.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.045 0.938 . . . . 0.0 112.477 168.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.464 ' HB2' ' H ' ' B' ' 56' ' ' SER . . . -60.85 -29.13 69.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.63 -20.83 35.81 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.43 1.092 . . . . 0.0 113.823 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.64 -38.57 89.74 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.103 1.361 . . . . 0.0 113.007 170.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -80.52 -15.0 57.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.677 1.591 . . . . 0.0 113.278 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 93.88 36.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 129.55 3.14 . . . . 0.0 112.154 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 77.05 112.44 0.07 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 130.567 3.547 . . . . 0.0 113.512 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' B' ' 50' ' ' ALA . 81.8 p -153.47 25.37 0.52 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.747 2.019 . . . . 0.0 111.262 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -53.04 120.48 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.163 -0.961 . . . . 0.0 111.416 -175.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.21 -54.56 0.63 Allowed Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.19 1.376 . . . . 0.0 111.239 -168.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.2 m -74.61 -40.56 61.47 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.538 -0.978 . . . . 0.0 111.746 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.81 -35.17 75.81 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 mt -55.43 -55.18 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.058 1.343 . . . . 0.0 109.611 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -61.99 -47.14 86.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.21 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -50.27 -43.19 53.26 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.256 0.935 . . . . 0.0 111.652 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.46 -38.52 65.43 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.4 mm -62.12 -48.91 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.249 1.42 . . . . 0.0 109.852 169.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.69 74.91 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.604 1.162 . . . . 0.0 110.408 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -64.89 -45.99 83.61 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.567 1.147 . . . . 0.0 111.563 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.86 69.05 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.2 -23.62 66.47 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.803 1.641 . . . . 0.0 113.815 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.68 -21.52 65.8 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 124.545 1.138 . . . . 0.0 113.772 -164.18 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.307 0.575 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.32 141.54 50.78 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -139.88 97.06 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.391 2.276 . . . . 0.0 108.748 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t -118.78 117.18 28.21 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.905 1.282 . . . . 0.0 110.819 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.77 165.26 26.34 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.016 1.327 . . . . 0.0 112.461 -167.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -124.39 86.52 2.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.545 1.538 . . . . 0.0 110.967 -168.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -72.66 169.94 15.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.639 1.576 . . . . 0.0 111.445 172.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -116.65 160.33 20.87 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.953 0.901 . . . . 0.0 111.141 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -44.14 -54.43 5.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.121 1.369 . . . . 0.0 113.685 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.94 -48.22 82.61 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.487 1.115 . . . . 0.0 113.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -61.96 -42.81 99.54 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.091 0.956 . . . . 0.0 111.233 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.83 -43.1 76.22 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.03 0.919 . . . . 0.0 112.736 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -34.79 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 112.26 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -64.19 -39.44 93.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.481 1.037 . . . . 0.0 113.038 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.23 -41.12 97.14 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.625 1.102 . . . . 0.0 112.435 170.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.16 -37.51 85.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.645 1.178 . . . . 0.0 112.734 173.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -37.08 85.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.342 0.657 . . . . 0.0 112.221 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 50.7 mtm -72.57 -43.78 62.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.791 0.836 . . . . 0.0 111.794 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -60.27 -43.29 96.31 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.944 0.898 . . . . 0.0 112.949 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -62.67 -28.52 69.98 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.075 -1.016 . . . . 0.0 113.468 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.65 -19.39 63.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.645 1.578 . . . . 0.0 113.371 173.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -110.25 0.65 18.2 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.755 2.022 . . . . 0.0 112.76 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 84.46 47.23 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 128.854 2.862 . . . . 0.0 113.756 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 76.93 120.28 0.05 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 130.037 3.335 . . . . 0.0 114.031 176.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.45 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 21.8 t -163.72 16.33 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.973 1.709 . . . . 0.0 111.019 -169.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -60.46 131.44 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 120.31 -1.494 . . . . 0.0 111.093 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.51 -57.86 0.74 Allowed Glycine 0 N--CA 1.469 0.867 0 C-N-CA 125.443 1.497 . . . . 0.0 109.946 -168.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.292 -1.122 . . . . 0.0 111.981 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.77 -37.56 79.41 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.912 0.885 . . . . 0.0 112.663 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.32 -55.53 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.783 0.833 . . . . 0.0 109.445 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.46 -47.07 87.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.67 -41.56 70.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.61 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.78 -41.1 79.26 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.366 1.079 . . . . 0.0 112.321 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.53 -41.74 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.285 1.434 . . . . 0.0 110.282 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.86 -36.17 75.31 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.45 0.7 . . . . 0.0 110.669 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.88 -41.69 99.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.208 1.003 . . . . 0.0 111.934 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.45 85.45 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.94 0.896 . . . . 0.0 113.118 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.94 -26.02 68.4 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 113.25 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -58.62 -30.1 66.99 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.415 1.086 . . . . 0.0 113.629 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -160.01 50.78 0.31 Allowed 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -48.86 -39.67 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.822 1.249 . . . . 0.0 113.541 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.249 1.075 0 C-N-CA 126.564 1.946 . . . . 0.0 110.9 -177.83 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -105.34 172.29 6.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.658 1.183 . . . . 0.0 111.112 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.97 132.61 36.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.106 . . . . 0.0 111.673 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.44 99.27 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.92 2.088 . . . . 0.0 108.168 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -117.53 122.2 43.05 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.014 1.325 . . . . 0.0 111.594 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.2 mt -142.76 171.41 14.1 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.346 1.859 . . . . 0.0 112.065 -164.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -136.49 95.39 3.15 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.394 1.878 . . . . 0.0 108.913 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -77.82 177.28 8.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.251 1.421 . . . . 0.0 110.738 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -125.25 162.39 24.82 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.325 0.65 . . . . 0.0 111.249 164.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.67 -31.28 69.4 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -162.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.94 -49.91 72.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.506 1.122 . . . . 0.0 112.873 171.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.03 -42.56 85.57 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.028 1.731 . . . . 0.0 111.46 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -70.44 -43.35 70.05 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.565 0.746 . . . . 0.0 112.649 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.08 -39.6 93.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.619 1.168 . . . . 0.0 113.103 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -65.27 -34.22 77.83 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.491 -0.755 . . . . 0.0 111.605 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.17 -33.44 61.46 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.32 -41.02 90.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.859 1.264 . . . . 0.0 113.026 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.98 -27.52 63.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.219 0.608 . . . . 0.0 112.455 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 13.4 mtm -70.06 -46.26 65.34 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.987 0.915 . . . . 0.0 112.405 163.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.486 ' HB2' ' H ' ' B' ' 56' ' ' SER . . . -59.88 -28.43 67.54 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -56.24 -27.14 53.95 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 169.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.17 -29.79 65.63 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.935 1.294 . . . . 0.0 113.375 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -89.67 -0.41 57.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.075 2.15 . . . . 0.0 112.9 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 72.33 47.29 0.28 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 127.734 2.414 . . . . 0.0 112.732 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 64.36 113.4 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 129.855 3.262 . . . . 0.0 114.645 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 50' ' ' ALA . 41.8 m -154.34 28.21 0.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.011 2.125 . . . . 0.0 110.759 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -55.98 132.84 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 120.501 -1.375 . . . . 0.0 111.751 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.86 -46.22 1.63 Allowed Glycine 0 N--CA 1.475 1.261 0 C-N-CA 125.332 1.444 . . . . 0.0 112.023 -173.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -70.39 -39.83 74.3 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.366 -1.079 . . . . 0.0 111.068 166.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.53 -38.04 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.271 -0.893 . . . . 0.0 112.783 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 41.8 mt -56.1 -51.77 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.456 1.103 . . . . 0.0 110.395 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -61.91 -50.99 69.96 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.846 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -54.69 -38.67 67.28 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.754 1.221 . . . . 0.0 112.596 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.36 -44.85 90.12 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.561 1.172 . . . . 0.0 112.241 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.47 -44.09 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 125.798 1.639 . . . . 0.0 110.473 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -29.8 65.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.64 0.776 . . . . 0.0 111.044 -176.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.41 -45.36 66.08 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.958 1.303 . . . . 0.0 111.965 169.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.22 72.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.634 0.774 . . . . 0.0 112.795 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.28 -19.51 65.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.492 1.517 . . . . 0.0 113.985 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.61 -34.24 77.8 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.061 0.944 . . . . 0.0 112.449 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt . . . . . 0 CA--C 1.553 1.092 0 C-N-CA 126.951 2.1 . . . . 0.0 111.974 176.587 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 122.403 1.097 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.09 119.66 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.438 2.295 . . . . 0.0 110.844 166.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 98.89 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.47 1.908 . . . . 0.0 109.394 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -108.57 123.12 48.43 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.42 1.888 . . . . 0.0 112.527 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.36 168.09 12.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.405 1.882 . . . . 0.0 112.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.67 77.48 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.947 2.099 . . . . 0.0 110.098 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.11 168.38 12.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.187 1.795 . . . . 0.0 111.44 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -117.77 167.98 10.88 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.288 1.035 . . . . 0.0 111.297 171.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.94 -41.75 75.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -165.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.96 -52.99 61.8 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.958 1.253 . . . . 0.0 112.824 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -53.76 -47.63 70.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.39 1.476 . . . . 0.0 110.808 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -60.75 -49.04 79.09 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.307 . . . . 0.0 111.816 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.71 -43.43 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.04 1.336 . . . . 0.0 112.407 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -44.19 91.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.303 1.041 . . . . 0.0 111.404 173.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.05 -43.52 95.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.863 0.756 . . . . 0.0 112.568 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.71 -38.4 90.32 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.531 -0.731 . . . . 0.0 112.73 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -68.57 -33.49 74.16 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.193 1.397 . . . . 0.0 112.247 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.6 mtm -67.02 -50.37 62.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.916 0.887 . . . . 0.0 110.73 167.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.18 69.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.871 1.269 . . . . 0.0 113.991 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -56.23 -28.38 58.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.195 1.398 . . . . 0.0 112.709 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -70.03 -31.74 69.53 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.412 1.085 . . . . 0.0 112.588 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.43 0.59 57.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.917 2.087 . . . . 0.0 112.909 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 77.83 50.79 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.407 2.683 . . . . 0.0 112.685 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 55.42 82.39 0.1 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 129.471 3.108 . . . . 0.0 114.547 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 76.0 p -118.19 25.09 10.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 128.224 2.609 . . . . 0.0 112.234 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -44.84 -51.85 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 126.165 1.786 . . . . 0.0 114.689 -155.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.02 -37.73 91.98 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.0 1.286 . . . . 0.0 113.756 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.3 m -75.69 -37.08 59.83 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.239 1.416 . . . . 0.0 111.995 171.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -60.48 -41.99 95.34 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.205 0.911 . . . . 0.0 111.789 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.4 mt -51.61 -57.58 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.402 1.481 . . . . 0.0 109.979 171.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.98 -44.72 96.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.999 0.919 . . . . 0.0 111.463 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -55.73 -39.5 71.19 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.46 1.904 . . . . 0.0 111.951 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.69 -40.87 79.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.414 1.006 . . . . 0.0 112.828 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.07 -42.45 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.201 1.4 . . . . 0.0 110.215 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.39 -36.03 73.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.793 0.837 . . . . 0.0 111.051 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.51 -43.93 93.25 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.511 1.524 . . . . 0.0 111.292 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.73 88.38 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.6 -28.13 69.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.576 1.551 . . . . 0.0 112.869 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -54.77 -36.06 64.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.945 1.298 . . . . 0.0 112.779 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -155.94 75.45 0.9 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.492 1.517 . . . . 0.0 112.64 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.54 -36.73 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.433 1.093 . . . . 0.0 113.458 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.858 1.663 . . . . 0.0 111.796 -179.153 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 121.398 0.618 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.49 170.09 9.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.401 2.281 . . . . 0.0 111.04 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.16 115.86 21.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.212 1.405 . . . . 0.0 110.529 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.83 89.74 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.597 1.559 . . . . 0.0 109.638 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -117.89 128.86 55.23 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.099 0.96 . . . . 0.0 113.489 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.45 172.19 13.36 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.402 1.481 . . . . 0.0 113.064 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -130.36 83.48 2.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.372 1.869 . . . . 0.0 110.019 -161.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.8 -177.81 5.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.612 1.965 . . . . 0.0 111.833 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -129.11 173.71 10.22 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.604 1.161 . . . . 0.0 111.139 164.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.08 -35.63 67.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.722 1.209 . . . . 0.0 113.45 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.31 -50.67 69.14 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.895 -1.128 . . . . 0.0 112.564 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.81 -47.32 86.86 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.041 1.736 . . . . 0.0 111.235 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.81 -38.2 82.98 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.753 -0.592 . . . . 0.0 112.406 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -65.07 -39.36 93.11 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -43.59 95.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.228 0.611 . . . . 0.0 112.003 172.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.1 -47.39 86.51 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.461 0.704 . . . . 0.0 112.578 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.83 -40.18 83.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.798 0.839 . . . . 0.0 112.811 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -62.77 -36.14 82.1 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.151 0.98 . . . . 0.0 112.187 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 47.8 mtm -74.96 -42.06 58.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.593 1.557 . . . . 0.0 112.522 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.56 60.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.932 1.693 . . . . 0.0 114.359 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.39 -23.05 56.02 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.824 1.193 . . . . 0.0 113.038 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -70.76 -35.3 72.56 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.054 -1.029 . . . . 0.0 112.867 170.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -75.83 -1.7 26.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.777 1.631 . . . . 0.0 113.065 166.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 69.34 40.39 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.341 2.256 . . . . 0.0 111.941 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 65.1 115.95 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 130.606 3.562 . . . . 0.0 114.965 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 39.7 t -144.38 -55.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.158 1.383 . . . . 0.0 110.239 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 t 68.46 141.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 129.432 3.093 . . . . 0.0 112.786 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.06 -39.75 2.07 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.636 1.589 . . . . 0.0 112.216 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.9 t -59.78 -40.76 89.34 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.499 -1.001 . . . . 0.0 111.321 171.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.41 -39.83 76.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.468 1.107 . . . . 0.0 112.508 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -52.88 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.306 1.443 . . . . 0.0 109.47 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -62.07 -50.32 72.45 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.285 0.634 . . . . 0.0 110.215 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -51.9 -42.85 63.04 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.903 1.681 . . . . 0.0 111.925 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.88 -44.89 75.97 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.204 1.002 . . . . 0.0 112.776 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.3 -39.24 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 126.106 1.762 . . . . 0.0 110.133 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.49 -32.97 64.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.309 1.043 . . . . 0.0 110.757 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -64.26 -48.19 76.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.116 1.366 . . . . 0.0 111.675 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.15 70.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.685 1.194 . . . . 0.0 112.846 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -27.62 68.82 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.31 -20.23 27.19 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.018 1.727 . . . . 0.0 114.037 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 tttt . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 126.29 1.836 . . . . 0.0 113.775 177.06 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 132.56 53.51 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.726 1.21 . . . . 0.0 111.557 170.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -142.88 103.95 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.511 1.925 . . . . 0.0 109.402 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -102.89 127.33 50.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.121 1.369 . . . . 0.0 112.062 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.9 164.49 22.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.029 2.132 . . . . 0.0 111.396 -168.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.83 81.86 1.99 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.28 1.432 . . . . 0.0 110.297 -166.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -82.52 172.95 12.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.457 1.903 . . . . 0.0 112.319 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -85.59 145.9 27.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 121.987 -0.446 . . . . 0.0 109.824 162.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.36 -29.41 63.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.893 0.477 . . . . 0.0 111.708 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.54 -56.43 16.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.708 -1.245 . . . . 0.0 111.906 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -60.54 -38.36 84.23 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.897 1.279 . . . . 0.0 111.858 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -57.85 -54.26 48.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.762 1.225 . . . . 0.0 111.753 173.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.959 0.903 . . . . 0.0 112.943 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -60.81 -42.18 97.16 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.524 -0.735 . . . . 0.0 111.473 171.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -31.04 71.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 170.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.35 -40.02 93.07 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.734 -1.229 . . . . 0.0 112.467 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -64.53 -35.48 81.09 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.813 0.845 . . . . 0.0 112.541 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.9 mtp -65.72 -48.94 70.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.25 1.42 . . . . 0.0 110.747 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -62.85 -32.09 73.24 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.886 1.274 . . . . 0.0 114.002 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -26.47 66.35 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.634 1.106 . . . . 0.0 112.169 174.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -71.98 -25.57 61.91 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.536 1.134 . . . . 0.0 112.68 173.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -97.16 2.67 51.35 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.731 2.012 . . . . 0.0 112.081 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.5 52.5 0.17 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.331 2.652 . . . . 0.0 112.96 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 59.85 102.06 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.668 3.187 . . . . 0.0 115.262 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 79.9 p -145.9 27.1 1.21 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.623 2.369 . . . . 0.0 111.397 -173.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.38 115.01 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.788 1.235 . . . . 0.0 110.234 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.64 -51.32 0.71 Allowed Glycine 0 N--CA 1.473 1.105 0 C-N-CA 125.138 1.351 . . . . 0.0 112.274 -170.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.22 -39.05 92.26 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.088 -1.242 . . . . 0.0 111.205 166.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.25 -39.25 94.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.839 0.855 . . . . 0.0 112.424 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mt -55.18 -58.07 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.583 1.153 . . . . 0.0 109.346 170.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -56.94 -50.94 71.07 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.891 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -44.9 -45.88 10.59 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.501 1.92 . . . . 0.0 111.67 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -40.65 74.6 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.92 -44.92 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.352 1.461 . . . . 0.0 110.031 170.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -35.02 75.94 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 110.55 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.14 -50.57 67.67 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.01 1.724 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.67 -25.0 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.57 -24.82 67.72 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.182 1.793 . . . . 0.0 113.244 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -54.56 -44.46 72.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.848 1.259 . . . . 0.0 111.993 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 80.64 1.75 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.001 2.121 . . . . 0.0 110.929 168.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.5 mt -51.07 -50.95 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.122 0.969 . . . . 0.0 111.796 167.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.462 1.905 . . . . 0.0 114.973 -178.737 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.673 0.273 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -73.5 159.69 32.81 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.103 1.361 . . . . 0.0 110.965 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.85 108.31 12.85 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.165 1.786 . . . . 0.0 110.123 -175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 44.0 t -132.06 92.02 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.021 1.328 . . . . 0.0 109.826 -167.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -114.88 122.3 45.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.818 1.247 . . . . 0.0 112.23 -170.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -111.6 163.82 13.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.373 1.869 . . . . 0.0 110.614 -174.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -133.23 81.73 1.95 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.558 1.543 . . . . 0.0 109.58 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -69.68 167.46 16.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.902 0.881 . . . . 0.0 111.561 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -117.09 92.64 3.91 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.583 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 35.11 -67.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 1 C-N-CA 132.268 4.227 . . . . 0.0 116.691 169.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.95 -50.76 60.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.974 1.31 . . . . 0.0 111.972 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -54.49 -47.12 73.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.437 1.495 . . . . 0.0 111.773 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.93 -46.27 82.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.564 0.746 . . . . 0.0 111.738 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.45 -34.47 78.36 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 125.269 1.428 . . . . 0.0 113.346 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -38.31 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.866 1.267 . . . . 0.0 111.215 171.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.97 -31.14 58.87 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.71 -40.57 97.57 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.818 -1.176 . . . . 0.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -62.41 -34.04 75.95 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.405 1.482 . . . . 0.0 112.062 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mtm -71.44 -44.46 64.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.61 1.164 . . . . 0.0 112.607 167.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.12 -28.97 63.15 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.187 0.903 . . . . 0.0 113.254 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -56.97 -23.79 48.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.152 1.381 . . . . 0.0 113.635 171.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.24 -42.61 93.18 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.791 1.236 . . . . 0.0 112.397 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.72 -3.69 54.34 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.555 1.542 . . . . 0.0 113.276 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 92.6 37.63 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.834 3.254 . . . . 0.0 112.331 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 67.72 90.39 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.589 3.156 . . . . 0.0 112.922 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 65.6 p -142.61 44.69 1.61 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.213 2.205 . . . . 0.0 109.857 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.08 142.67 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.902 0.858 . . . . 0.0 111.553 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -53.46 0.82 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.784 1.659 . . . . 0.0 110.463 -164.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -68.94 -48.73 62.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.575 -0.956 . . . . 0.0 112.461 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.76 -44.28 93.93 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.493 0.588 . . . . 0.0 111.205 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.56 -51.39 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 128.004 2.522 . . . . 0.0 110.452 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -62.47 -57.21 12.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.903 0.481 . . . . 0.0 110.934 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -49.41 -39.26 31.98 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.271 1.428 . . . . 0.0 112.912 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.16 -37.93 75.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.532 1.06 . . . . 0.0 113.238 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.1 -48.84 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.678 1.191 . . . . 0.0 109.548 168.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.48 -30.52 68.43 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.296 0.498 . . . . 0.0 111.637 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -46.25 90.61 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 126.784 2.034 . . . . 0.0 111.558 168.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.47 82.75 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -17.86 64.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.782 2.033 . . . . 0.0 113.401 -174.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.6 -33.71 73.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.686 1.195 . . . . 0.0 113.564 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -160.415 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 121.151 0.501 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 125.74 24.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.289 1.036 . . . . 0.0 111.303 168.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.3 t -148.99 116.36 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.058 1.743 . . . . 0.0 109.941 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -132.87 143.3 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 125.475 1.51 . . . . 0.0 114.024 -170.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.41 -179.25 6.63 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 127.527 2.331 . . . . 0.0 112.786 -173.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.61 95.1 3.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.608 1.963 . . . . 0.0 109.597 -163.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.37 -166.56 0.19 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.553 1.941 . . . . 0.0 113.1 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m -139.54 160.76 39.11 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 120.996 -1.065 . . . . 0.0 110.852 155.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.44 -50.94 38.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.522 1.129 . . . . 0.0 113.376 -164.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.78 -48.75 80.43 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.038 0.935 . . . . 0.0 112.568 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.53 -39.6 94.83 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.681 1.193 . . . . 0.0 111.985 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.93 -49.21 60.02 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.354 0.662 . . . . 0.0 112.257 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -35.27 76.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.8 1.24 . . . . 0.0 112.365 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -61.63 -41.1 97.0 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.0 0.818 . . . . 0.0 111.332 171.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.13 -33.76 65.72 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.91 -41.5 95.53 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.699 1.2 . . . . 0.0 113.596 173.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -32.37 73.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.058 0.543 . . . . 0.0 112.391 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.9 mtm -76.22 -34.34 59.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.496 1.118 . . . . 0.0 113.477 170.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.42 68.27 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.22 -23.52 56.06 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -71.66 -31.5 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.386 1.474 . . . . 0.0 113.395 171.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -86.43 -4.81 59.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.416 1.887 . . . . 0.0 113.266 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 80.17 41.79 0.06 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.593 2.757 . . . . 0.0 113.423 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.35 100.35 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 129.038 2.935 . . . . 0.0 113.559 -176.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m -152.79 36.24 0.49 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.401 1.881 . . . . 0.0 112.474 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -46.53 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -166.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.84 98.92 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-N 119.284 0.947 . . . . 0.0 112.31 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 m -68.85 -37.83 79.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.074 0.95 . . . . 0.0 111.907 175.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -45.32 93.02 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.696 0.798 . . . . 0.0 111.175 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.6 mt -56.32 -53.38 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.183 172.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -45.74 92.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 -175.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -57.73 -38.93 76.17 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 127.238 2.215 . . . . 0.0 113.038 175.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.5 -32.14 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.076 0.941 . . . . 0.0 112.734 -173.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.5 -45.33 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.584 1.153 . . . . 0.0 109.825 167.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.48 -37.67 71.29 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.245 -0.91 . . . . 0.0 110.812 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.56 -39.68 88.86 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.844 1.257 . . . . 0.0 111.696 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -38.19 57.14 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.65 -27.16 68.74 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.001 1.72 . . . . 0.0 113.562 -175.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.44 -22.33 54.07 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -155.86 52.37 0.57 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.076 1.35 . . . . 0.0 113.114 -172.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mt -47.5 -41.07 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 124.557 1.143 . . . . 0.0 113.289 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.152 0 C-N-CA 126.762 2.025 . . . . 0.0 111.732 175.246 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -79.21 116.87 19.74 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.365 1.866 . . . . 0.0 111.815 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 137.89 58.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.639 1.176 . . . . 0.0 111.147 166.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.9 t -138.97 116.31 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 127.879 2.472 . . . . 0.0 107.732 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -135.18 126.7 28.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.777 1.631 . . . . 0.0 110.921 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -136.64 169.77 17.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.03 1.732 . . . . 0.0 111.151 -164.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -132.27 83.54 2.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.127 1.371 . . . . 0.0 111.446 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -71.62 178.91 3.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.626 1.571 . . . . 0.0 112.455 170.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.4 m -137.23 164.81 27.64 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.702 1.201 . . . . 0.0 110.612 164.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -38.78 20.88 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.06 -51.31 67.19 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.164 1.347 . . . . 0.0 112.343 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.5 -38.24 89.16 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.464 1.506 . . . . 0.0 111.771 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -64.9 -46.34 82.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.094 0.958 . . . . 0.0 111.421 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.19 -39.36 75.27 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.373 1.069 . . . . 0.0 113.381 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -56.39 -39.25 72.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.643 0.777 . . . . 0.0 112.311 170.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.16 -41.1 62.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 172.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.73 -38.72 86.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.457 1.103 . . . . 0.0 113.22 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -68.86 -30.36 68.87 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.7 mtm -72.19 -44.0 63.67 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.467 1.107 . . . . 0.0 112.317 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.406 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.48 -28.48 65.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.787 1.235 . . . . 0.0 113.677 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.04 -25.73 61.57 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.76 -25.23 63.72 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.724 1.21 . . . . 0.0 113.725 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -101.89 2.12 37.72 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.011 2.524 . . . . 0.0 112.746 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 74.53 46.87 0.14 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.529 2.731 . . . . 0.0 113.828 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 64.73 99.48 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.739 2.816 . . . . 0.0 114.091 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.406 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 69.6 p -150.03 22.57 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.179 1.791 . . . . 0.0 113.089 -170.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.1 m -44.5 -44.98 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -164.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.13 -39.39 89.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.265 0.936 . . . . 0.0 113.778 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -81.58 -36.72 28.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.991 1.316 . . . . 0.0 112.529 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.23 -37.93 78.73 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.635 0.774 . . . . 0.0 112.437 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.3 mt -52.45 -53.4 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.263 1.425 . . . . 0.0 110.0 173.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -61.89 -49.18 77.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.981 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -39.12 62.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.919 1.288 . . . . 0.0 111.871 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.3 -40.42 67.54 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.177 -0.952 . . . . 0.0 112.755 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.45 -42.11 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.815 1.246 . . . . 0.0 110.872 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -37.16 76.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.727 0.811 . . . . 0.0 109.941 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.68 -40.36 95.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.22 1.008 . . . . 0.0 112.565 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.63 97.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 111.797 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.31 -26.92 68.27 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.854 -1.154 . . . . 0.0 113.319 -174.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -63.28 -14.07 45.5 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 mttp . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 125.408 1.483 . . . . 0.0 114.112 176.097 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 122.116 0.96 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.13 144.7 39.45 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.99 0.916 . . . . 0.0 113.359 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.6 t -138.67 92.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.236 2.215 . . . . 0.0 108.094 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t -118.65 115.83 25.33 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.236 1.014 . . . . 0.0 111.715 -171.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.3 168.79 14.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.471 1.508 . . . . 0.0 113.157 -172.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -130.76 65.17 1.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.487 1.915 . . . . 0.0 110.88 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -65.9 164.94 13.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.24 1.816 . . . . 0.0 112.726 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -87.93 160.79 17.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.58 -0.7 . . . . 0.0 111.402 165.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -51.06 -39.86 56.95 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.044 0.537 . . . . 0.0 112.01 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.91 -54.74 33.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.019 1.328 . . . . 0.0 112.677 176.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.72 -33.09 75.14 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.413 0.685 . . . . 0.0 112.593 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -66.76 -50.03 64.01 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.9 1.28 . . . . 0.0 112.165 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -58.71 -35.09 72.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.186 0.994 . . . . 0.0 112.724 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.72 -24.3 66.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.1 1.36 . . . . 0.0 114.123 170.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -81.79 -47.79 12.42 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.081 1.31 . . . . 0.0 112.914 159.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.53 -38.97 64.28 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.619 1.1 . . . . 0.0 113.745 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -69.98 -30.4 67.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.034 0.934 . . . . 0.0 113.096 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 51.6 mtm -80.08 -40.53 27.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.162 0.985 . . . . 0.0 112.169 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -59.22 -34.1 71.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.554 1.542 . . . . 0.0 113.068 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.94 -27.55 68.91 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.904 -1.122 . . . . 0.0 113.969 172.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.04 -26.27 61.24 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.881 1.272 . . . . 0.0 112.995 170.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.86 0.48 54.84 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.887 2.075 . . . . 0.0 112.545 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 69.28 44.96 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.666 2.386 . . . . 0.0 112.965 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 69.2 110.66 0.05 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.756 3.222 . . . . 0.0 113.899 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.495 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 6.8 t -153.31 29.1 0.49 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.514 1.926 . . . . 0.0 110.765 -174.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.36 132.32 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.02 -1.675 . . . . 0.0 112.461 -174.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.74 -45.06 3.43 Favored Glycine 0 N--CA 1.472 1.062 0 C-N-CA 126.129 1.823 . . . . 0.0 112.044 -174.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 m -64.74 -31.58 72.87 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.167 -1.196 . . . . 0.0 112.095 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.23 -40.25 81.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.587 1.155 . . . . 0.0 112.375 167.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -50.36 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.556 1.142 . . . . 0.0 110.721 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -60.47 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -61.92 -30.69 71.06 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.861 -1.15 . . . . 0.0 113.373 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -43.92 80.52 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.163 1.347 . . . . 0.0 111.8 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.3 mm -63.15 -43.0 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.595 1.158 . . . . 0.0 110.23 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.63 -32.47 67.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.418 0.687 . . . . 0.0 110.994 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -65.04 -45.71 84.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.77 1.228 . . . . 0.0 111.607 171.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.02 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.501 0.72 . . . . 0.0 112.895 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.97 69.21 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.055 1.342 . . . . 0.0 113.077 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -63.4 -21.74 66.46 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -158.59 50.47 0.39 Allowed 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.5 mm -48.36 -36.18 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.83 -1.169 . . . . 0.0 113.857 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 126.57 1.948 . . . . 0.0 110.705 176.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -82.79 175.01 10.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.431 1.092 . . . . 0.0 111.414 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 124.84 31.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.397 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.71 89.45 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.081 1.752 . . . . 0.0 108.541 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -112.07 119.72 39.41 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.712 1.205 . . . . 0.0 112.369 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.13 172.47 9.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.837 2.455 . . . . 0.0 111.053 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -136.4 82.86 1.97 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.057 1.743 . . . . 0.0 110.571 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -72.75 177.47 4.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.975 . . . . 0.0 110.741 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.1 m -126.01 173.23 9.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.658 0.783 . . . . 0.0 110.961 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -53.7 -38.11 63.94 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -165.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.4 -53.19 56.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.112 0.965 . . . . 0.0 112.899 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -57.72 -45.72 85.37 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.073 1.349 . . . . 0.0 111.229 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.57 -38.15 74.07 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.579 -0.7 . . . . 0.0 112.529 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -67.28 -41.13 85.96 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.808 0.843 . . . . 0.0 112.263 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -58.29 -43.69 88.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.779 0.718 . . . . 0.0 111.563 172.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -66.95 -37.74 84.83 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.99 -39.74 95.66 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.967 0.907 . . . . 0.0 113.249 171.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.05 -36.01 82.98 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.019 0.928 . . . . 0.0 111.977 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 48.6 mtp -73.06 -41.0 64.61 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.639 1.576 . . . . 0.0 112.143 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . . . -65.99 -15.42 63.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.046 1.738 . . . . 0.0 115.015 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.49 -21.88 18.51 Favored 'General case' 0 CA--C 1.556 1.196 0 O-C-N 121.107 -0.996 . . . . 0.0 113.385 166.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.21 -39.74 94.62 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.179 0.992 . . . . 0.0 113.081 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.8 3.49 54.26 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 128.154 2.581 . . . . 0.0 113.203 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 73.48 39.12 0.6 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.716 2.406 . . . . 0.0 113.22 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 62.11 131.09 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.163 3.385 . . . . 0.0 115.705 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.3 p -167.27 -32.32 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.373 1.869 . . . . 0.0 112.593 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t 55.9 -67.46 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 130.768 3.627 . . . . 0.0 115.678 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.09 97.2 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.989 1.268 . . . . 0.0 112.148 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -66.45 -36.78 83.63 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.689 -0.889 . . . . 0.0 111.71 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' B' ' 50' ' ' ALA . 4.6 t80 -65.67 -41.1 92.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.431 -0.793 . . . . 0.0 112.305 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -55.26 -49.47 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.864 0.866 . . . . 0.0 109.016 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.07 -49.85 72.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.077 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -60.1 -35.91 76.27 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.272 -0.892 . . . . 0.0 112.62 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -68.35 -43.38 77.6 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.621 1.201 . . . . 0.0 112.587 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.84 -42.3 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 125.176 1.39 . . . . 0.0 110.524 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -70.81 -32.26 69.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.352 0.661 . . . . 0.0 110.887 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.9 -45.39 82.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.06 0.944 . . . . 0.0 112.045 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.44 77.83 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.523 0.729 . . . . 0.0 112.677 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -19.86 66.07 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.274 1.829 . . . . 0.0 114.009 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.88 -26.47 68.17 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 170.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? . . . . . 0 CA--C 1.555 1.147 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -170.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 121.953 0.882 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.17 129.8 41.04 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.938 1.695 . . . . 0.0 111.936 174.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.1 t -144.53 104.87 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.746 . . . . 0.0 110.651 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -109.89 129.92 55.59 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.893 1.277 . . . . 0.0 113.781 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.08 171.1 11.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.235 2.214 . . . . 0.0 112.554 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.38 78.21 1.79 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.333 1.853 . . . . 0.0 110.488 -166.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.36 169.3 17.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.822 2.049 . . . . 0.0 111.886 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.7 p -90.42 165.54 13.77 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.425 -0.797 . . . . 0.0 111.959 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.69 -44.53 73.47 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.996 0.518 . . . . 0.0 111.308 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -51.86 65.53 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.203 1.001 . . . . 0.0 111.473 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -58.28 -40.12 81.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.237 1.415 . . . . 0.0 112.258 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -66.67 -53.05 38.02 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.277 1.831 . . . . 0.0 111.582 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.96 -36.86 78.02 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.139 1.376 . . . . 0.0 112.892 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -39.24 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.911 0.885 . . . . 0.0 111.771 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.05 -38.65 61.31 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 172.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.66 -42.33 92.58 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.237 -0.914 . . . . 0.0 112.567 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.02 -35.83 82.0 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.97 1.308 . . . . 0.0 112.349 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.6 mtm -68.13 -45.28 74.05 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.825 1.25 . . . . 0.0 111.643 170.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' HB3' ' H ' ' A' ' 56' ' ' SER . . . -61.19 -26.44 67.72 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.736 1.215 . . . . 0.0 113.952 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.16 -26.68 66.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.683 1.129 . . . . 0.0 113.383 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -72.08 -30.57 65.24 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.114 -0.991 . . . . 0.0 112.68 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.49 -0.27 36.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.354 1.862 . . . . 0.0 113.066 166.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 68.68 44.45 1.17 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.395 2.278 . . . . 0.0 112.364 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 71.3 109.04 0.06 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 130.224 3.41 . . . . 0.0 114.129 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.441 ' H ' ' HB3' ' A' ' 50' ' ' ALA . 3.7 t -155.11 23.53 0.43 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.53 1.532 . . . . 0.0 112.138 -169.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.35 128.76 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 120.276 -1.515 . . . . 0.0 110.413 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.75 -39.72 2.7 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.661 1.124 . . . . 0.0 113.334 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.7 m -75.76 -43.09 48.32 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.65 -0.912 . . . . 0.0 110.967 165.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.66 -43.8 69.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.187 1.395 . . . . 0.0 111.957 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.5 mt -47.87 -59.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.798 1.639 . . . . 0.0 110.175 171.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -60.04 -50.71 72.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.181 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -48.67 -46.23 40.0 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.192 0.905 . . . . 0.0 111.671 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.64 -41.17 79.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 112.496 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.2 mm -69.18 -38.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.678 1.591 . . . . 0.0 111.359 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -35.34 71.9 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.361 1.065 . . . . 0.0 110.361 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.93 -41.58 91.19 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.521 1.528 . . . . 0.0 112.348 171.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.08 94.44 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 112.429 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -25.4 68.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.144 1.377 . . . . 0.0 112.991 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.42 -33.94 68.42 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.963 1.305 . . . . 0.0 112.972 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -156.59 67.09 0.56 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.409 1.884 . . . . 0.0 113.078 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.7 mm -52.76 -40.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.584 1.154 . . . . 0.0 112.759 170.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.078 1.751 . . . . 0.0 113.96 179.034 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.91 0.386 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -83.26 171.51 13.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.583 1.553 . . . . 0.0 111.339 175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.74 17.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.839 1.656 . . . . 0.0 109.92 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 70.6 t -127.23 90.17 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 126.221 1.808 . . . . 0.0 108.622 -173.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -109.8 120.84 43.72 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.089 1.356 . . . . 0.0 111.407 -170.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.9 159.25 24.13 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.324 1.85 . . . . 0.0 110.29 -168.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -137.43 87.99 2.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.186 1.394 . . . . 0.0 109.89 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -79.54 171.61 14.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.537 1.535 . . . . 0.0 112.176 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -122.88 172.16 8.68 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.135 1.374 . . . . 0.0 111.061 164.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -48.72 -52.9 21.16 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.225 1.41 . . . . 0.0 113.717 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.79 -54.79 40.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.213 1.005 . . . . 0.0 112.802 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.9 -44.1 82.02 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.215 1.406 . . . . 0.0 112.057 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.82 -43.3 72.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.051 0.541 . . . . 0.0 111.929 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.033 1.333 . . . . 0.0 111.749 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -61.54 -46.94 87.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.119 0.872 . . . . 0.0 111.126 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.81 -24.82 62.63 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -43.33 73.44 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.044 1.338 . . . . 0.0 113.273 168.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.51 -34.97 76.41 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.647 -0.658 . . . . 0.0 112.214 174.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 67.8 mtp -70.7 -43.87 68.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.804 1.642 . . . . 0.0 112.213 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -26.59 66.74 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.452 1.101 . . . . 0.0 113.783 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.06 -25.39 61.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.915 0.886 . . . . 0.0 113.054 171.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.06 -27.34 63.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.078 0.951 . . . . 0.0 113.303 174.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -95.82 1.53 53.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.514 1.926 . . . . 0.0 112.624 169.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 76.85 50.49 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.664 2.785 . . . . 0.0 112.706 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 57.97 82.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.465 2.706 . . . . 0.0 114.099 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -138.38 62.1 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.566 1.946 . . . . 0.0 109.341 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -48.11 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.344 1.458 . . . . 0.0 113.938 -167.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.42 98.67 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 123.933 0.778 . . . . 0.0 111.766 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.77 -42.23 91.07 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.782 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.59 -41.25 93.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.659 1.118 . . . . 0.0 111.689 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.6 mt -54.87 -49.0 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.206 1.802 . . . . 0.0 109.329 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -57.94 -62.12 2.04 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 123.277 0.361 . . . . 0.0 110.704 172.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.81 -33.91 37.78 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.753 2.421 . . . . 0.0 112.605 -173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.0 -41.63 81.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.98 -41.98 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.15 1.38 . . . . 0.0 108.946 171.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -71.0 -37.46 72.67 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.602 -0.686 . . . . 0.0 111.249 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.04 -41.62 98.31 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.591 1.956 . . . . 0.0 111.862 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.23 81.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.037 0.935 . . . . 0.0 111.298 172.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.91 -33.16 71.5 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.073 1.349 . . . . 0.0 112.053 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -18.96 25.17 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.897 2.479 . . . . 0.0 115.507 170.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 tttp . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 127.118 2.167 . . . . 0.0 112.859 177.009 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 122.908 1.337 . . . . 0.0 109.885 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 123.56 19.88 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.742 2.817 . . . . 0.0 112.164 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.82 99.87 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 126.831 2.052 . . . . 0.0 109.201 -173.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 t -108.83 114.2 27.78 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.138 1.375 . . . . 0.0 111.404 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.8 172.06 7.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.489 1.516 . . . . 0.0 112.538 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.79 75.27 1.59 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.692 2.397 . . . . 0.0 108.836 -170.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -73.56 177.35 5.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.933 1.693 . . . . 0.0 109.953 172.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.2 t -131.56 170.4 14.78 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.043 0.937 . . . . 0.0 111.584 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.45 -53.61 22.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.608 1.563 . . . . 0.0 113.458 -167.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.27 -49.23 76.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.204 0.911 . . . . 0.0 112.26 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -58.12 -45.83 86.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.248 1.419 . . . . 0.0 111.443 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.71 -44.36 74.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.332 1.453 . . . . 0.0 112.903 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -36.86 85.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 111.091 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -56.72 -50.11 73.15 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.42 0.688 . . . . 0.0 111.591 167.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 -42.46 94.55 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.021 0.928 . . . . 0.0 113.077 176.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.62 -38.36 90.83 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 173.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.19 94.67 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.504 -0.747 . . . . 0.0 111.466 175.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 49.4 mtp -68.26 -41.17 81.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.532 1.933 . . . . 0.0 111.92 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -55.87 -33.35 64.49 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.02 1.728 . . . . 0.0 113.859 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.75 -22.97 67.1 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -13.73 60.68 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.263 1.425 . . . . 0.0 113.094 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.67 4.83 13.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.244 1.818 . . . . 0.0 111.859 171.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 66.74 62.36 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.508 2.723 . . . . 0.0 113.062 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 68.1 98.25 0.06 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.447 2.699 . . . . 0.0 114.773 171.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.517 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 18.2 p -154.36 30.15 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.878 2.071 . . . . 0.0 111.927 -170.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.64 124.85 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 120.624 -1.298 . . . . 0.0 111.818 -169.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.37 -45.52 2.22 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.603 1.573 . . . . 0.0 111.998 -175.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.0 m -63.51 -34.72 78.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.345 -1.091 . . . . 0.0 111.36 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.31 -40.52 90.87 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.268 1.027 . . . . 0.0 112.16 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -55.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.986 1.314 . . . . 0.0 107.822 171.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.13 -53.96 52.45 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -174.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.0 tpt85 -50.03 -39.48 41.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.824 2.45 . . . . 0.0 112.712 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -37.8 82.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.347 1.059 . . . . 0.0 113.065 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.62 -41.22 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.486 1.515 . . . . 0.0 109.015 172.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.07 -38.61 75.8 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.306 0.642 . . . . 0.0 110.633 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -61.76 -48.29 81.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 125.979 1.712 . . . . 0.0 111.164 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.85 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.301 1.041 . . . . 0.0 113.224 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -26.13 68.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.804 1.642 . . . . 0.0 113.178 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -56.51 -41.61 76.98 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.678 1.191 . . . . 0.0 112.526 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -141.57 79.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.92 2.088 . . . . 0.0 111.286 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.4 mt -51.42 -40.66 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.173 0.989 . . . . 0.0 112.533 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 128.175 2.59 . . . . 0.0 114.799 177.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 121.025 0.44 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -94.57 99.23 11.41 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.526 1.531 . . . . 0.0 112.336 -175.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 124.45 20.77 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.502 1.521 . . . . 0.0 111.014 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 58.6 t -127.99 95.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.947 2.099 . . . . 0.0 109.126 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 t -115.34 123.6 49.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.068 1.347 . . . . 0.0 113.142 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.7 mt -142.5 165.34 27.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.705 1.602 . . . . 0.0 112.022 -162.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -129.18 97.41 4.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.861 2.065 . . . . 0.0 109.284 -173.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -72.26 -179.55 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.216 1.406 . . . . 0.0 112.121 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m -116.72 166.74 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.701 0.8 . . . . 0.0 111.374 162.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.47 -49.92 66.4 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.143 0.977 . . . . 0.0 112.871 -165.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.56 -52.29 66.29 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.799 1.24 . . . . 0.0 112.232 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.14 -43.27 82.28 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.405 1.482 . . . . 0.0 111.661 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -67.44 -43.05 82.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.017 0.527 . . . . 0.0 112.117 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.44 -33.98 76.27 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.787 1.235 . . . . 0.0 113.163 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.634 1.174 . . . . 0.0 110.528 171.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -39.26 92.69 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 172.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.21 -40.99 97.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.409 -0.807 . . . . 0.0 113.018 171.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.634 1.174 . . . . 0.0 111.954 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 23.6 mtm -67.77 -48.94 64.97 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.409 1.484 . . . . 0.0 111.765 169.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.6 -28.64 68.67 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.62 1.168 . . . . 0.0 113.542 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -27.14 66.08 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.531 1.06 . . . . 0.0 112.262 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -70.2 -32.36 70.23 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.488 1.115 . . . . 0.0 112.002 172.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -85.66 0.48 52.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.984 1.714 . . . . 0.0 112.485 170.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 74.15 48.4 0.13 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.671 2.788 . . . . 0.0 112.73 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 58.39 84.46 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.729 2.812 . . . . 0.0 114.104 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -141.32 43.49 1.77 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.474 2.31 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -46.59 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -168.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.0 98.13 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.858 0.742 . . . . 0.0 112.688 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 66.9 m -68.95 -38.9 79.72 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.642 -0.916 . . . . 0.0 111.626 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.84 -42.4 97.7 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.08 0.552 . . . . 0.0 111.68 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 mt -52.52 -52.94 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.534 1.534 . . . . 0.0 109.914 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -54.47 43.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.396 0.678 . . . . 0.0 110.886 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.33 -38.5 66.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.102 1.761 . . . . 0.0 113.069 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.0 -42.31 85.21 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.702 1.201 . . . . 0.0 111.973 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.3 mm -64.37 -47.55 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.266 1.826 . . . . 0.0 110.48 172.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -32.08 69.37 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.315 0.646 . . . . 0.0 110.563 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.5 -45.4 90.9 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.405 1.482 . . . . 0.0 111.905 169.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.89 82.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 172.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.51 -35.54 81.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.447 1.099 . . . . 0.0 111.687 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -59.47 -21.12 59.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.485 1.514 . . . . 0.0 114.466 170.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 tttp . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 126.567 1.947 . . . . 0.0 112.894 177.246 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 121.422 0.63 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.11 123.53 15.58 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.398 1.079 . . . . 0.0 110.196 159.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -142.81 106.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.376 1.871 . . . . 0.0 109.092 -165.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -116.1 139.48 50.26 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.918 1.687 . . . . 0.0 112.566 -173.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -137.85 169.8 17.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.008 2.123 . . . . 0.0 111.703 -171.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.05 81.75 2.02 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.848 1.659 . . . . 0.0 111.001 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -79.62 -178.97 6.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.102 2.161 . . . . 0.0 112.464 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 m -143.41 167.43 22.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.095 1.358 . . . . 0.0 110.71 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.06 -57.13 6.22 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.405 1.482 . . . . 0.0 113.112 -161.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.32 -49.77 76.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.781 1.232 . . . . 0.0 112.809 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -62.53 -37.74 87.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.303 1.041 . . . . 0.0 112.016 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -67.92 -53.11 28.89 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.987 0.915 . . . . 0.0 111.303 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -33.62 75.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.582 1.153 . . . . 0.0 113.492 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -38.36 87.65 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.316 0.962 . . . . 0.0 111.914 169.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -36.08 61.01 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.09 -36.98 85.39 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.813 171.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.96 -37.66 87.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.359 1.464 . . . . 0.0 112.04 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 44.7 mtm -71.1 -44.35 65.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.51 0.724 . . . . 0.0 111.679 170.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.52 74.98 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.876 0.87 . . . . 0.0 113.331 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.52 -26.41 61.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.791 1.236 . . . . 0.0 113.885 174.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -82.54 -4.91 58.34 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.697 1.599 . . . . 0.0 113.324 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.79 0.93 6.72 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.324 2.649 . . . . 0.0 112.66 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 93.65 45.64 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.807 2.843 . . . . 0.0 113.991 170.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 47.83 78.38 0.08 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 128.104 2.562 . . . . 0.0 115.12 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -127.7 42.26 3.35 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.359 1.864 . . . . 0.0 110.508 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.18 -43.26 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.964 1.306 . . . . 0.0 113.512 -163.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.52 -39.31 94.81 Favored Glycine 0 N--CA 1.477 1.414 0 C-N-CA 124.682 1.134 . . . . 0.0 113.883 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -77.28 -35.83 54.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.308 1.043 . . . . 0.0 112.164 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.12 -42.32 98.32 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.59 -0.694 . . . . 0.0 111.517 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.1 mt -51.66 -57.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.97 1.308 . . . . 0.0 109.831 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.57 -47.67 84.66 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.536 0.684 . . . . 0.0 111.152 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -62.84 -30.15 71.28 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.914 -1.116 . . . . 0.0 113.39 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.79 -36.48 70.32 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.171 1.351 . . . . 0.0 113.035 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.89 -45.72 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.395 1.478 . . . . 0.0 109.822 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -36.07 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.673 0.789 . . . . 0.0 111.385 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -61.24 -41.22 96.51 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.872 1.269 . . . . 0.0 111.463 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.68 72.13 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 170.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.89 -26.61 68.68 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.911 1.684 . . . . 0.0 113.275 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.65 -22.99 58.22 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.385 1.074 . . . . 0.0 113.811 172.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -156.18 51.61 0.53 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.165 1.386 . . . . 0.0 113.522 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.3 mt -45.45 -43.42 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.114 1.366 . . . . 0.0 113.731 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.673 1.989 . . . . 0.0 110.88 177.615 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -103.86 107.53 18.45 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.544 1.138 . . . . 0.0 112.228 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.03 131.12 47.56 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.269 1.027 . . . . 0.0 111.021 168.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.83 103.55 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 127.213 2.205 . . . . 0.0 109.32 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -125.4 137.79 54.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.47 178.09 7.56 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 126.949 2.099 . . . . 0.0 112.441 -174.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -137.01 88.02 2.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.834 2.054 . . . . 0.0 109.631 -167.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.81 -177.61 2.87 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.252 1.021 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -130.95 167.47 18.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.735 0.814 . . . . 0.0 111.169 163.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -51.23 -43.36 61.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -165.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.98 -49.97 72.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.056 0.942 . . . . 0.0 112.616 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.78 -44.05 97.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.139 1.375 . . . . 0.0 111.56 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.54 -39.63 94.11 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.503 -0.748 . . . . 0.0 111.611 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.45 -40.45 81.07 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.543 1.137 . . . . 0.0 112.669 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.08 94.39 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.875 0.762 . . . . 0.0 112.153 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.59 -43.23 90.33 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.793 -0.567 . . . . 0.0 112.167 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.44 -38.33 83.79 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.066 0.947 . . . . 0.0 113.311 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -37.83 88.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.053 0.941 . . . . 0.0 112.048 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtm -72.99 -45.32 58.56 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.077 0.951 . . . . 0.0 111.685 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.58 79.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.89 0.876 . . . . 0.0 112.905 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -58.6 -27.54 64.76 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.013 -1.055 . . . . 0.0 113.658 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.49 -21.8 59.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.444 1.498 . . . . 0.0 113.325 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.16 -5.73 25.23 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.135 2.174 . . . . 0.0 113.061 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 98.54 42.42 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 129.728 3.211 . . . . 0.0 113.37 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 57.64 72.53 0.51 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.321 2.648 . . . . 0.0 114.042 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 71.5 p -113.66 26.82 10.05 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.692 2.397 . . . . 0.0 112.176 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.93 -45.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -153.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.92 -40.64 98.65 Favored Glycine 0 N--CA 1.475 1.267 0 O-C-N 121.356 -0.84 . . . . 0.0 113.568 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.6 m -71.87 -35.78 69.91 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.515 -0.991 . . . . 0.0 112.051 172.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.93 -41.73 96.77 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.323 0.649 . . . . 0.0 112.07 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.53 -47.32 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.081 1.352 . . . . 0.0 110.099 176.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.82 -47.23 75.74 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 112.137 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -55.94 -38.56 70.47 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.968 -1.083 . . . . 0.0 112.887 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.61 -40.29 80.45 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.292 0.951 . . . . 0.0 112.257 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.53 -50.24 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.805 1.242 . . . . 0.0 109.651 170.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.71 -34.63 78.28 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.396 0.678 . . . . 0.0 110.847 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.13 -46.53 83.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.935 1.294 . . . . 0.0 111.555 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.35 62.83 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.77 -14.22 61.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.142 1.377 . . . . 0.0 112.978 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -59.59 -21.14 59.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.628 1.171 . . . . 0.0 113.753 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 125.212 1.405 . . . . 0.0 114.542 170.441 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 121.813 0.816 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 127.59 32.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.421 1.489 . . . . 0.0 110.898 168.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.2 t -139.73 110.81 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.95 1.7 . . . . 0.0 109.697 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.2 t -112.49 120.5 41.84 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.961 2.105 . . . . 0.0 111.642 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.36 168.15 19.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.476 1.911 . . . . 0.0 112.339 -170.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -127.69 90.94 3.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.42 1.888 . . . . 0.0 110.623 -169.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -83.75 176.97 8.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.921 2.089 . . . . 0.0 111.882 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -133.0 168.63 18.14 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.725 0.81 . . . . 0.0 112.087 173.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -56.74 -43.07 80.35 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.95 1.3 . . . . 0.0 112.994 -159.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.2 -56.31 22.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.172 0.989 . . . . 0.0 111.934 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -59.37 -39.83 84.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.86 1.264 . . . . 0.0 111.539 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.48 -52.84 59.66 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.021 1.329 . . . . 0.0 111.199 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.03 -40.39 95.54 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.921 1.289 . . . . 0.0 112.387 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -41.56 91.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.335 0.654 . . . . 0.0 111.6 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.23 -31.96 62.8 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -65.08 -37.98 89.28 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -41.75 88.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.979 0.912 . . . . 0.0 111.37 175.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.1 mtm -72.22 -39.37 68.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.905 1.282 . . . . 0.0 112.536 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.51 66.44 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.724 1.21 . . . . 0.0 113.603 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.86 -28.1 65.78 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.799 1.181 . . . . 0.0 113.161 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.36 -28.43 64.05 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.836 1.254 . . . . 0.0 112.208 172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -90.48 3.63 53.38 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.156 1.783 . . . . 0.0 111.928 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . 0.252 0.4 OUTLIER 64.06 54.41 1.68 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.25 2.62 . . . . 0.0 113.422 -177.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 56.66 84.55 0.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.683 2.793 . . . . 0.0 113.945 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -140.72 37.6 1.82 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 127.297 2.239 . . . . 0.0 111.03 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -47.12 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 126.06 1.744 . . . . 0.0 114.644 -170.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.35 93.96 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.242 0.925 . . . . 0.0 113.08 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -75.96 -38.88 57.04 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.37 1.468 . . . . 0.0 112.116 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -61.64 -43.87 98.05 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.934 0.788 . . . . 0.0 110.95 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.6 mt -51.22 -54.69 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.683 1.193 . . . . 0.0 109.246 173.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.02 -57.05 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -51.74 -34.7 40.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.458 2.303 . . . . 0.0 113.817 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -64.08 -40.42 96.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.809 1.244 . . . . 0.0 112.535 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.81 -43.26 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.061 1.744 . . . . 0.0 110.276 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -66.87 -37.99 85.47 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.74 0.7 . . . . 0.0 110.983 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.54 -43.34 94.3 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.143 1.777 . . . . 0.0 111.393 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.4 75.93 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.545 0.738 . . . . 0.0 112.829 171.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.5 -27.32 69.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.918 1.687 . . . . 0.0 112.945 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -58.44 -27.52 64.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.791 1.236 . . . . 0.0 113.052 174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -154.95 67.57 0.68 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.598 1.959 . . . . 0.0 112.483 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.52 -49.3 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.685 1.194 . . . . 0.0 112.687 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.82 1.648 . . . . 0.0 112.921 177.776 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -85.03 163.89 18.58 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.989 0.916 . . . . 0.0 110.807 170.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.68 126.02 39.24 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.598 . . . . 0.0 110.492 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.57 90.74 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.437 1.895 . . . . 0.0 108.744 -177.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -111.59 116.77 31.38 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.313 1.045 . . . . 0.0 111.533 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.13 178.06 7.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.273 1.429 . . . . 0.0 113.096 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -137.23 92.97 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.984 -167.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -76.28 176.03 8.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.583 1.553 . . . . 0.0 111.368 166.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -127.42 173.67 9.63 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.816 0.846 . . . . 0.0 110.622 162.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.27 -28.62 69.85 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -159.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.44 -53.94 44.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 111.936 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.0 -46.47 85.19 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.841 1.256 . . . . 0.0 110.779 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.36 -39.23 93.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.571 0.748 . . . . 0.0 111.887 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -44.25 89.28 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.477 1.111 . . . . 0.0 111.806 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -60.72 -40.63 93.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.614 0.766 . . . . 0.0 112.525 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.6 -44.39 86.76 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.586 0.63 . . . . 0.0 111.768 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.74 -39.14 83.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -63.0 -36.05 82.26 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.024 1.329 . . . . 0.0 112.581 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.6 mtm -72.91 -47.86 42.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.557 1.143 . . . . 0.0 111.339 169.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.55 68.55 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 124.87 1.268 . . . . 0.0 113.242 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -57.37 -28.48 63.21 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.792 1.178 . . . . 0.0 113.139 172.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -70.33 -31.19 68.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.303 1.041 . . . . 0.0 112.36 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -88.75 1.68 54.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.987 2.115 . . . . 0.0 112.5 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 74.99 46.88 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.49 2.716 . . . . 0.0 113.278 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.67 85.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.83 3.252 . . . . 0.0 114.592 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 78.4 p -124.77 28.27 6.56 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.418 2.687 . . . . 0.0 112.361 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -44.8 -49.42 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 126.246 1.819 . . . . 0.0 115.227 -155.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.14 -42.16 98.44 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.109 0.868 . . . . 0.0 113.328 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 38.3 m -68.99 -36.96 78.43 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.445 -1.033 . . . . 0.0 111.764 171.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.6 -40.4 94.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.562 0.619 . . . . 0.0 112.195 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.77 -51.18 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.467 1.507 . . . . 0.0 109.246 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -57.75 -58.46 8.28 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.373 0.269 . . . . 0.0 110.898 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -49.42 -37.53 25.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.76 2.424 . . . . 0.0 113.156 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.91 -38.38 72.98 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.049 1.34 . . . . 0.0 113.073 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.1 mm -55.0 -50.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.365 1.466 . . . . 0.0 108.662 168.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.1 -36.23 77.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.067 0.547 . . . . 0.0 110.845 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.33 -39.52 93.33 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.276 1.83 . . . . 0.0 112.181 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.5 73.83 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.945 0.898 . . . . 0.0 112.803 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -66.49 -22.64 66.19 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.986 1.714 . . . . 0.0 113.733 -174.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -52.1 -35.08 46.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.414 1.086 . . . . 0.0 113.215 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 N--CA 1.47 0.575 0 C-N-CA 127.15 2.18 . . . . 0.0 110.695 176.34 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 . . . . . 0 N--CA 1.47 0.575 0 CA-C-O 122.159 0.981 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.63 117.68 3.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.518 2.327 . . . . 0.0 111.553 160.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.4 t -141.12 99.2 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.604 1.562 . . . . 0.0 109.779 -174.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -114.29 118.98 35.44 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.899 1.28 . . . . 0.0 112.459 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -122.8 169.47 11.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.017 2.127 . . . . 0.0 111.949 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -128.81 80.45 1.97 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.068 1.747 . . . . 0.0 110.184 -165.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.05 168.65 19.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.213 1.805 . . . . 0.0 110.488 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -95.16 169.07 10.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.541 -0.725 . . . . 0.0 112.275 169.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -53.48 -41.67 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.247 0.619 . . . . 0.0 111.485 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.28 -55.25 34.02 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.511 1.125 . . . . 0.0 112.185 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -57.93 -41.57 83.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.056 0.142 . . . . 0.0 110.909 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.57 -47.12 82.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.108 0.963 . . . . 0.0 112.626 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -36.25 83.7 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.381 0.673 . . . . 0.0 112.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.96 -41.21 91.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.566 1.076 . . . . 0.0 111.855 169.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.53 -43.76 89.02 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.07 -43.65 87.06 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.257 0.935 . . . . 0.0 112.446 171.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.52 -26.78 66.5 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.301 -0.874 . . . . 0.0 112.806 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.71 -49.85 23.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 163.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' A' ' 56' ' ' SER . . . -58.61 -27.95 65.15 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.818 1.647 . . . . 0.0 113.993 -177.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.14 -26.14 64.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.484 1.038 . . . . 0.0 113.07 171.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.04 -29.89 68.12 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.179 -0.95 . . . . 0.0 112.663 172.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -93.24 1.95 56.83 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.693 1.997 . . . . 0.0 112.161 171.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 70.93 49.44 0.36 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.414 2.686 . . . . 0.0 112.977 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 64.42 104.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 130.175 3.39 . . . . 0.0 114.702 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.481 ' H ' ' HB3' ' A' ' 50' ' ' ALA . 61.8 p -148.09 24.47 1.04 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.265 2.226 . . . . 0.0 112.113 -171.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.02 122.32 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.247 1.019 . . . . 0.0 110.489 -171.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.71 -58.57 0.48 Allowed Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.123 1.344 . . . . 0.0 110.909 -171.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -64.12 -44.07 93.38 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.626 0.77 . . . . 0.0 110.949 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -55.37 -42.37 73.86 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.494 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.34 -53.1 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.874 1.27 . . . . 0.0 109.466 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -59.68 -50.36 74.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.915 0.388 . . . . 0.0 110.573 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -55.35 -36.82 66.73 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.759 1.623 . . . . 0.0 112.494 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -69.8 -43.72 71.49 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.411 1.084 . . . . 0.0 112.792 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.56 -41.97 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.824 1.249 . . . . 0.0 109.985 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.58 -38.3 77.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.498 1.119 . . . . 0.0 110.745 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -61.32 -43.35 99.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.555 1.542 . . . . 0.0 111.67 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.12 86.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.247 1.019 . . . . 0.0 112.643 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -29.03 69.99 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.22 1.408 . . . . 0.0 112.562 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -29.57 64.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.685 1.594 . . . . 0.0 114.162 171.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -158.3 58.37 0.46 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.148 1.779 . . . . 0.0 113.435 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.96 -50.91 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.099 0.96 . . . . 0.0 111.945 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.726 1.61 . . . . 0.0 113.332 175.353 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.592 0.234 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.93 173.59 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.578 1.551 . . . . 0.0 111.616 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.96 117.41 21.68 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.209 1.404 . . . . 0.0 111.234 -175.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 45.9 t -126.03 90.11 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.608 1.963 . . . . 0.0 109.093 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 17.5 t -109.57 126.35 53.5 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.64 0.776 . . . . 0.0 111.491 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -120.64 163.0 18.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.514 1.926 . . . . 0.0 111.372 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -127.02 81.05 1.99 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.747 2.019 . . . . 0.0 108.91 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.31 178.63 5.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.595 1.558 . . . . 0.0 111.549 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -138.49 -179.73 5.98 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.535 1.134 . . . . 0.0 110.836 168.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -52.52 -53.14 49.98 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.02 1.328 . . . . 0.0 113.168 -164.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.98 -51.95 67.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.412 1.085 . . . . 0.0 112.649 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -56.28 -48.41 76.67 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.536 1.534 . . . . 0.0 111.105 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -67.18 -40.18 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.683 0.793 . . . . 0.0 111.895 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.49 -45.08 85.0 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.504 1.122 . . . . 0.0 112.582 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -40.79 94.81 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.794 0.724 . . . . 0.0 111.799 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -39.52 86.57 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.95 -40.2 94.72 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.354 -0.842 . . . . 0.0 112.679 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.79 -38.13 84.29 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.373 1.069 . . . . 0.0 111.732 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mtm -66.77 -44.75 80.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.016 1.327 . . . . 0.0 112.289 168.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.442 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.84 -20.68 58.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.488 1.515 . . . . 0.0 114.579 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.66 -26.56 63.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.581 1.082 . . . . 0.0 113.396 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -70.75 -30.61 67.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.394 1.078 . . . . 0.0 112.474 172.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.3 2.73 46.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.826 1.65 . . . . 0.0 112.261 169.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 66.07 48.78 1.67 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.574 2.35 . . . . 0.0 112.296 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 62.38 99.34 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 129.207 3.003 . . . . 0.0 113.923 -172.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.442 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 3.1 t -146.02 39.84 1.13 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.1 1.36 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.45 116.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.778 1.231 . . . . 0.0 110.133 -173.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.81 -58.87 0.6 Allowed Glycine 0 N--CA 1.471 1.012 0 C-N-CA 125.227 1.394 . . . . 0.0 110.676 -170.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -63.13 -38.36 90.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.352 -1.087 . . . . 0.0 111.184 171.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -40.55 87.68 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.576 0.751 . . . . 0.0 112.841 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.72 -52.09 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.015 1.326 . . . . 0.0 110.144 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -58.03 10.08 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 110.423 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -55.92 -36.21 67.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.184 1.794 . . . . 0.0 112.105 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -63.49 -49.2 74.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.513 1.052 . . . . 0.0 111.968 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.2 mm -64.07 -43.79 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 126.149 1.78 . . . . 0.0 110.517 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.65 -32.66 70.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.085 0.954 . . . . 0.0 110.703 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -68.37 -46.96 68.64 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.507 1.523 . . . . 0.0 111.694 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.08 73.29 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.193 0.997 . . . . 0.0 112.391 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.55 -27.14 68.4 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.66 1.584 . . . . 0.0 113.184 -177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -59.2 -39.87 83.97 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.301 1.04 . . . . 0.0 112.63 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? . . . . . 0 N--CA 1.476 0.841 0 C-N-CA 126.595 1.958 . . . . 0.0 112.706 171.612 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.634 0.254 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 132.59 54.31 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.403 0.681 . . . . 0.0 111.216 170.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.4 95.24 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.718 2.007 . . . . 0.0 108.389 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -115.49 109.25 17.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.413 1.485 . . . . 0.0 110.573 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.6 163.17 23.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.585 1.154 . . . . 0.0 112.94 -164.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -126.76 79.04 1.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.796 1.638 . . . . 0.0 110.243 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -77.35 166.3 23.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.541 1.936 . . . . 0.0 111.374 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -122.51 172.34 8.44 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.293 0.637 . . . . 0.0 111.596 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -53.85 -54.12 42.99 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.757 1.223 . . . . 0.0 112.776 -160.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.28 -53.21 59.93 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.026 0.93 . . . . 0.0 112.745 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -58.49 -41.38 85.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.092 0.957 . . . . 0.0 111.0 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.53 -49.16 51.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.722 0.809 . . . . 0.0 112.437 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.847 1.259 . . . . 0.0 112.687 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.03 98.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.616 -0.677 . . . . 0.0 110.706 171.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.31 -33.17 75.13 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.0 -41.23 95.58 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.3 -0.875 . . . . 0.0 112.165 171.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -63.56 -36.56 84.18 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.051 0.94 . . . . 0.0 112.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.0 mtp -69.09 -47.14 65.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.875 1.67 . . . . 0.0 111.362 171.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HB3' ' H ' ' A' ' 56' ' ' SER . . . -61.67 -25.3 67.31 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 126.342 1.857 . . . . 0.0 113.8 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -58.1 -25.62 61.58 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.585 1.084 . . . . 0.0 112.877 170.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -75.1 -25.4 58.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.01 0.924 . . . . 0.0 113.438 172.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -87.09 1.03 54.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.206 1.802 . . . . 0.0 112.017 166.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 73.8 44.65 0.27 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.245 2.618 . . . . 0.0 112.473 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 59.3 91.4 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 129.747 3.219 . . . . 0.0 113.424 -175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' A' ' 50' ' ' ALA . 7.5 t -140.72 40.05 1.85 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.808 2.043 . . . . 0.0 110.005 -176.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.63 138.09 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.754 1.222 . . . . 0.0 111.439 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.48 -54.02 1.75 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 125.381 1.467 . . . . 0.0 110.637 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.6 t -62.9 -39.78 95.56 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.191 -1.182 . . . . 0.0 111.085 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.92 -38.6 70.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.329 1.052 . . . . 0.0 112.768 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -54.68 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 124.271 1.028 . . . . 0.0 109.679 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -63.69 -49.67 72.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.96 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -48.19 -43.21 31.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.196 1.398 . . . . 0.0 111.636 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -38.31 56.45 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.3 -42.81 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.403 1.081 . . . . 0.0 109.913 170.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -38.75 78.67 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 109.837 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.74 -39.79 92.81 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.315 1.446 . . . . 0.0 112.561 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.67 71.15 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.103 0.961 . . . . 0.0 111.152 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.62 -27.41 69.22 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.74 1.616 . . . . 0.0 113.653 -172.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -57.39 -33.98 68.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.322 1.049 . . . . 0.0 113.279 170.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -158.39 67.58 0.46 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.613 1.565 . . . . 0.0 112.94 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.07 -49.71 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.793 0.837 . . . . 0.0 112.229 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.981 1.712 . . . . 0.0 113.273 -176.738 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 121.366 0.603 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.19 166.17 13.09 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.402 1.881 . . . . 0.0 110.885 173.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.93 118.63 16.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.12 1.368 . . . . 0.0 110.784 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 t -133.59 90.09 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.239 1.416 . . . . 0.0 110.266 -165.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 26.4 t -101.09 118.76 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.993 1.717 . . . . 0.0 112.929 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -125.24 172.77 9.28 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.366 2.267 . . . . 0.0 112.284 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -130.85 90.53 2.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.082 2.153 . . . . 0.0 109.967 -177.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -77.55 174.25 11.09 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 126.486 1.914 . . . . 0.0 111.576 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.5 p -115.41 172.72 6.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.149 0.98 . . . . 0.0 113.622 168.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.53 -44.24 65.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.303 1.441 . . . . 0.0 111.81 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.86 -55.75 23.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.905 1.282 . . . . 0.0 112.082 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -56.9 -38.5 72.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.475 1.91 . . . . 0.0 112.161 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.61 -48.11 42.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.81 1.244 . . . . 0.0 111.601 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.44 -40.57 97.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.559 1.144 . . . . 0.0 112.93 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -57.74 -42.36 83.73 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.086 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.33 -23.95 37.46 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.85 -41.56 95.6 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.367 -0.833 . . . . 0.0 112.596 169.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.46 -40.1 81.74 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.764 1.226 . . . . 0.0 111.698 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 82.7 mtp -73.51 -40.18 64.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.025 1.73 . . . . 0.0 112.713 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.501 ' HB2' ' H ' ' B' ' 56' ' ' SER . . . -58.87 -27.36 65.1 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 113.175 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -58.2 -25.25 61.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.297 -0.877 . . . . 0.0 113.279 171.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.94 -25.26 61.81 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.217 1.007 . . . . 0.0 113.372 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.03 -3.11 51.93 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.603 1.561 . . . . 0.0 112.226 168.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 77.43 50.0 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.628 2.771 . . . . 0.0 112.212 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.9 100.59 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.927 3.291 . . . . 0.0 114.205 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' B' ' 50' ' ' ALA . 96.8 p -143.65 30.76 1.33 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.712 2.405 . . . . 0.0 110.769 -175.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.75 139.28 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.246 -0.909 . . . . 0.0 111.312 -175.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.75 -52.27 2.63 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.963 1.268 . . . . 0.0 110.983 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -64.53 -43.74 93.04 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.979 -0.719 . . . . 0.0 110.521 171.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -38.28 86.89 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.583 -0.698 . . . . 0.0 112.7 174.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.1 mt -57.23 -48.8 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 109.133 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -59.75 -52.88 63.59 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.006 0.522 . . . . 0.0 112.006 174.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -50.93 -44.46 60.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.963 1.705 . . . . 0.0 112.008 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -64.11 -44.21 92.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.298 1.047 . . . . 0.0 111.838 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.69 -51.83 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.84 1.656 . . . . 0.0 110.242 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.61 -19.48 60.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -72.71 -45.17 60.14 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 127.572 2.349 . . . . 0.0 111.582 168.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.8 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.103 0.961 . . . . 0.0 112.169 174.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.1 -39.43 66.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.773 2.029 . . . . 0.0 111.67 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -60.52 -18.98 55.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 114.168 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 126.468 1.907 . . . . 0.0 113.288 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 121.695 0.759 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 129.35 41.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.396 1.078 . . . . 0.0 111.722 170.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -145.2 112.7 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.181 1.792 . . . . 0.0 109.221 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -122.53 140.82 52.34 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.836 1.255 . . . . 0.0 113.418 -168.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.93 164.12 27.65 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.033 -172.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -129.09 72.44 1.47 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.698 1.199 . . . . 0.0 110.546 -164.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -73.78 168.07 20.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.425 1.89 . . . . 0.0 112.95 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -95.15 163.97 13.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 123.494 0.718 . . . . 0.0 112.019 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.51 -49.25 46.64 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.407 0.683 . . . . 0.0 111.344 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.41 -60.0 4.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 113.347 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.98 -30.65 71.08 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -70.3 -50.29 40.85 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.935 -1.103 . . . . 0.0 113.017 172.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.02 -33.89 75.2 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.408 0.683 . . . . 0.0 112.325 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -34.47 72.24 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.098 1.359 . . . . 0.0 112.995 169.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -47.68 47.86 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.721 1.146 . . . . 0.0 112.458 164.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.99 -36.68 70.64 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.363 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.28 -39.07 89.16 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 0.0 111.99 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 ttp -72.5 -43.62 63.37 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.11 1.364 . . . . 0.0 112.246 176.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -59.42 -28.37 66.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.798 2.039 . . . . 0.0 114.186 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.96 -22.57 60.41 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -70.66 -31.87 68.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.729 1.212 . . . . 0.0 113.573 171.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.42 -0.91 57.7 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.228 2.211 . . . . 0.0 113.168 169.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 73.7 45.67 0.23 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.899 2.48 . . . . 0.0 112.857 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 65.27 102.78 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 129.371 3.068 . . . . 0.0 114.457 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.45 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 92.9 p -143.47 36.94 1.34 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.421 2.288 . . . . 0.0 110.615 -177.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.43 126.59 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 120.77 -1.206 . . . . 0.0 111.678 -169.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.32 -44.0 2.33 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 125.759 1.647 . . . . 0.0 112.218 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.1 m -66.34 -33.33 75.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.204 -1.174 . . . . 0.0 111.903 168.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.6 -41.78 95.45 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.435 -0.791 . . . . 0.0 112.065 170.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -48.71 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.007 0.923 . . . . 0.0 109.508 173.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -63.73 -47.35 81.41 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -55.85 -40.31 72.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.348 1.059 . . . . 0.0 112.809 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -38.68 87.07 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.281 1.032 . . . . 0.0 112.385 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mm -77.55 -35.22 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.572 1.149 . . . . 0.0 111.696 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -34.94 78.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 110.628 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.73 -45.33 86.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 112.204 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.71 87.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.894 0.878 . . . . 0.0 112.988 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.33 -16.3 63.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.798 1.639 . . . . 0.0 113.892 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -59.64 -28.97 67.7 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -159.79 48.02 0.28 Allowed 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -168.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.5 mm -49.71 -37.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 124.624 1.17 . . . . 0.0 113.486 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 N--CA 1.483 1.199 0 C-N-CA 128.603 2.761 . . . . 0.0 113.982 177.427 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 123.197 1.475 . . . . 0.0 114.35 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -86.09 101.4 12.92 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.736 -1.574 . . . . 0.0 111.38 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 122.58 14.78 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.125 0.97 . . . . 0.0 111.168 169.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.5 88.65 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.245 2.218 . . . . 0.0 108.515 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 18.3 t -101.45 135.75 42.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.111 0.964 . . . . 0.0 112.241 -177.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.1 mt -125.79 156.57 39.29 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.54 1.936 . . . . 0.0 110.141 -170.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.04 80.23 1.88 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.148 1.379 . . . . 0.0 110.035 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -70.39 176.96 3.63 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.876 1.27 . . . . 0.0 111.483 166.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -126.44 178.71 5.69 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.709 0.804 . . . . 0.0 110.063 156.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -45.73 -47.82 15.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.469 1.507 . . . . 0.0 114.481 -160.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.83 -55.64 27.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.028 0.931 . . . . 0.0 112.442 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.93 -36.26 82.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.634 1.174 . . . . 0.0 112.884 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -64.36 -47.42 79.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.35 1.06 . . . . 0.0 111.709 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.46 -35.97 81.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.314 1.045 . . . . 0.0 112.782 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -57.88 -43.49 86.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.094 1.357 . . . . 0.0 111.981 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -75.53 -31.76 60.23 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.0 -38.62 91.55 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 170.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -37.48 87.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.296 1.038 . . . . 0.0 111.455 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.57 -48.07 76.37 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.796 1.238 . . . . 0.0 111.706 168.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -32.17 71.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.274 1.03 . . . . 0.0 113.426 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.25 -21.97 50.45 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.16 1.384 . . . . 0.0 113.522 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.49 -26.85 63.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.612 1.165 . . . . 0.0 113.456 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -99.61 -18.57 17.26 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.54 1.936 . . . . 0.0 112.996 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . 0.253 19.1 tt0 114.21 54.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 131.227 3.811 . . . . 0.0 112.25 168.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.267 9.0 pt-20 48.1 70.43 0.44 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.692 2.397 . . . . 0.0 114.328 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.3 t -132.52 49.16 2.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.581 1.952 . . . . 0.0 108.958 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.73 129.2 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.716 1.206 . . . . 0.0 111.864 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.75 -55.06 0.67 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 126.103 1.811 . . . . 0.0 110.318 -170.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.9 m -70.91 -42.58 69.74 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.477 -1.013 . . . . 0.0 112.773 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.46 -42.28 98.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.298 1.046 . . . . 0.0 111.717 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -57.49 -49.64 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 127.826 2.451 . . . . 0.0 110.171 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -60.19 -53.59 55.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.952 0.501 . . . . 0.0 111.209 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -50.18 -41.12 48.75 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.401 1.08 . . . . 0.0 112.416 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.14 -39.78 65.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.958 0.903 . . . . 0.0 113.347 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.61 -46.68 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.394 1.078 . . . . 0.0 109.796 170.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -32.76 70.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.398 0.679 . . . . 0.0 110.378 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.79 -42.04 99.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.555 1.142 . . . . 0.0 112.352 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.4 83.42 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 171.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -22.2 61.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.164 1.386 . . . . 0.0 113.392 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -58.82 -22.62 59.0 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 165.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 CA--C 1.554 1.127 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -171.109 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.27 125.19 28.72 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.285 1.034 . . . . 0.0 111.124 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.36 87.84 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.701 1.6 . . . . 0.0 109.043 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 t -110.41 119.63 39.83 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.88 1.272 . . . . 0.0 112.743 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -131.15 168.02 18.15 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.569 2.347 . . . . 0.0 111.663 -172.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -128.59 88.4 2.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.939 2.096 . . . . 0.0 110.049 -171.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -70.57 168.15 16.97 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.3 1.44 . . . . 0.0 111.973 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -106.96 160.94 15.16 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.523 0.729 . . . . 0.0 111.172 170.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -52.23 -48.59 65.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.176 0.99 . . . . 0.0 113.117 -170.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.51 -49.12 79.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.932 0.893 . . . . 0.0 112.298 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.02 -45.03 94.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.041 1.336 . . . . 0.0 110.876 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.79 -47.99 78.7 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.453 1.501 . . . . 0.0 111.71 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.32 -40.44 96.34 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.707 1.203 . . . . 0.0 112.264 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.17 -41.77 89.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.34 0.973 . . . . 0.0 112.01 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.24 -43.36 78.08 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.09 -39.0 88.29 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.566 -0.709 . . . . 0.0 112.73 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.76 -39.86 90.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.032 1.333 . . . . 0.0 111.72 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.2 mtm -71.22 -44.21 65.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.499 1.12 . . . . 0.0 112.111 172.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -30.39 68.88 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.898 1.279 . . . . 0.0 113.397 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.83 -28.11 61.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.092 0.86 . . . . 0.0 113.058 171.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.41 -26.69 61.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.412 1.085 . . . . 0.0 113.257 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -90.54 -0.65 57.75 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.162 1.785 . . . . 0.0 112.762 168.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 74.92 52.76 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 128.059 2.544 . . . . 0.0 112.448 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 59.08 84.07 0.12 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.215 3.006 . . . . 0.0 114.311 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.7 p -123.89 18.47 9.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.088 2.555 . . . . 0.0 113.442 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 t -40.43 -55.0 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.767 . . . . 0.0 115.749 -152.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.39 94.81 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-N 119.059 0.845 . . . . 0.0 113.467 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.8 m -69.02 -38.31 79.13 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.238 -1.154 . . . . 0.0 111.585 170.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.23 -44.83 88.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 111.292 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.71 -61.59 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.856 1.662 . . . . 0.0 109.194 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -54.24 -50.81 66.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.801 0.84 . . . . 0.0 112.158 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.98 -37.34 74.05 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.717 0.807 . . . . 0.0 112.865 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.91 -43.81 82.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.681 1.128 . . . . 0.0 112.061 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -61.47 -40.81 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.876 1.67 . . . . 0.0 110.765 174.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -34.46 71.09 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.749 0.819 . . . . 0.0 111.062 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.97 -39.32 93.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.016 1.326 . . . . 0.0 111.91 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.86 84.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.401 0.68 . . . . 0.0 112.453 168.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.65 -34.11 75.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.97 1.308 . . . . 0.0 111.672 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -56.85 -21.52 29.78 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.985 1.714 . . . . 0.0 114.566 171.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -108.17 -29.45 8.92 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.229 1.812 . . . . 0.0 113.877 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.0 -43.72 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.663 1.185 . . . . 0.0 111.118 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.258 1.823 . . . . 0.0 113.112 176.393 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -83.98 167.37 16.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.901 1.68 . . . . 0.0 110.906 175.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.76 112.01 15.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.261 1.425 . . . . 0.0 111.027 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 90.15 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.329 1.852 . . . . 0.0 109.267 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -120.04 116.59 26.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.526 1.13 . . . . 0.0 112.438 -174.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -113.38 161.67 17.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.655 1.582 . . . . 0.0 111.178 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.0 80.22 1.42 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.87 1.668 . . . . 0.0 109.93 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -75.16 177.36 6.52 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.205 1.802 . . . . 0.0 110.639 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -137.45 179.5 6.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.171 -0.956 . . . . 0.0 110.938 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -46.89 -53.3 12.47 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.536 1.534 . . . . 0.0 114.059 -167.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.18 -58.6 6.49 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.786 1.175 . . . . 0.0 113.084 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -56.27 -42.48 77.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.958 1.703 . . . . 0.0 111.722 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.65 -40.85 61.2 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.429 1.092 . . . . 0.0 112.732 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -35.92 74.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.989 0.916 . . . . 0.0 111.78 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -62.42 -40.46 96.64 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.984 0.914 . . . . 0.0 111.97 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -43.45 95.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 167.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.43 -38.04 85.72 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.994 0.816 . . . . 0.0 112.854 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -61.77 -41.87 98.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.44 1.496 . . . . 0.0 111.592 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.3 mtp -68.43 -48.2 65.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.934 2.094 . . . . 0.0 111.084 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -61.0 -30.55 70.35 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.431 1.893 . . . . 0.0 114.175 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -58.18 -29.99 66.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.774 1.17 . . . . 0.0 112.852 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -77.97 -14.02 59.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.462 1.105 . . . . 0.0 113.072 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -102.75 4.35 37.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.838 2.055 . . . . 0.0 111.601 166.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 63.64 58.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.59 2.356 . . . . 0.0 112.31 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 62.97 94.72 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.09 2.556 . . . . 0.0 114.331 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.51 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 5.6 t -138.95 39.04 2.15 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.386 2.674 . . . . 0.0 109.921 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.91 130.63 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.487 -1.383 . . . . 0.0 111.227 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.07 -43.62 3.26 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 125.461 1.505 . . . . 0.0 111.384 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -62.08 -34.75 76.87 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.237 -1.155 . . . . 0.0 111.401 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.05 -40.55 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.781 1.232 . . . . 0.0 112.419 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -49.49 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.556 1.542 . . . . 0.0 110.3 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -58.39 -57.75 11.53 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.147 0.979 . . . . 0.0 109.532 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.47 -43.16 7.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.864 2.065 . . . . 0.0 112.878 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -34.89 75.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.896 1.279 . . . . 0.0 113.954 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.05 -42.01 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 124.034 0.933 . . . . 0.0 110.101 168.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.73 -35.18 74.78 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.368 -0.833 . . . . 0.0 110.417 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.29 -47.53 85.61 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.335 2.254 . . . . 0.0 111.443 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.59 76.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.141 0.976 . . . . 0.0 113.212 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.55 -18.25 65.26 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.36 1.464 . . . . 0.0 113.707 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.65 -48.84 74.31 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.003 1.321 . . . . 0.0 112.127 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 N--CA 1.476 0.855 0 C-N-CA 127.281 2.232 . . . . 0.0 111.199 172.207 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 120.532 0.206 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.05 77.93 2.76 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.559 1.144 . . . . 0.0 111.259 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.68 139.52 50.11 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.203 1.001 . . . . 0.0 112.938 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.04 110.09 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.249 1.82 . . . . 0.0 109.752 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -114.84 123.62 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.861 1.664 . . . . 0.0 111.628 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -134.35 164.87 26.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.276 1.43 . . . . 0.0 113.079 -165.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -119.92 89.39 3.12 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.232 1.813 . . . . 0.0 110.613 -161.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.64 -177.72 4.01 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 128.923 2.889 . . . . 0.0 112.277 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -138.59 167.26 22.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.11 0.964 . . . . 0.0 112.712 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.89 -52.62 23.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.924 1.689 . . . . 0.0 113.686 -164.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -55.39 -53.21 59.11 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.802 1.241 . . . . 0.0 113.128 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.71 -37.51 79.08 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.138 0.975 . . . . 0.0 111.81 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -49.89 52.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.896 0.878 . . . . 0.0 112.591 173.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -33.56 75.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.844 1.258 . . . . 0.0 113.069 -175.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -62.62 -37.63 87.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.451 1.101 . . . . 0.0 112.145 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.59 -34.58 60.64 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.0 -40.31 96.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.091 0.956 . . . . 0.0 113.089 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -64.51 -37.49 87.73 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.191 0.996 . . . . 0.0 111.958 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.9 mtm -67.87 -43.67 78.84 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.699 0.8 . . . . 0.0 111.714 170.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -59.99 -34.92 73.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -62.16 -23.64 66.71 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 173.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.92 -39.16 90.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 168.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.54 -4.93 51.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.634 1.974 . . . . 0.0 113.556 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 76.78 38.95 0.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.462 2.705 . . . . 0.0 113.109 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 78.91 111.09 0.07 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 129.829 3.252 . . . . 0.0 113.941 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 77.0 p -155.07 27.19 0.42 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.272 2.229 . . . . 0.0 111.242 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 t -54.87 131.12 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.785 1.234 . . . . 0.0 110.377 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -46.23 1.33 Allowed Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.669 1.128 . . . . 0.0 112.301 -171.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -78.68 -40.99 32.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.607 0.763 . . . . 0.0 112.207 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.08 -38.47 70.72 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 111.955 175.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -55.37 -56.56 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.645 1.578 . . . . 0.0 110.569 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -63.14 -44.89 94.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -55.61 -38.09 68.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.646 1.179 . . . . 0.0 112.335 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.18 -40.01 82.36 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 122.333 1.063 . . . . 0.0 112.917 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.1 mm -67.07 -40.34 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.161 1.385 . . . . 0.0 110.796 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -34.16 71.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.803 0.841 . . . . 0.0 111.065 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.44 -46.35 86.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.438 1.095 . . . . 0.0 111.415 170.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -31.54 72.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.925 0.89 . . . . 0.0 113.178 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.82 -22.84 66.58 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.549 1.54 . . . . 0.0 113.706 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.54 -25.04 67.83 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -157.78 50.1 0.42 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.287 1.035 . . . . 0.0 113.388 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.4 mt -48.24 -45.49 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.865 1.266 . . . . 0.0 113.579 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.855 1.662 . . . . 0.0 112.258 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.32 156.6 18.0 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.947 1.299 . . . . 0.0 112.55 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.92 111.37 15.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.527 1.131 . . . . 0.0 112.196 -157.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.63 92.74 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.221 1.808 . . . . 0.0 109.195 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -104.21 120.3 40.85 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.225 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mp -120.24 169.86 9.87 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.901 2.481 . . . . 0.0 110.675 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -140.67 77.34 1.6 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.643 1.977 . . . . 0.0 110.674 -173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -74.47 178.45 5.27 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.21 1.404 . . . . 0.0 112.093 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -131.26 178.21 6.88 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.927 1.291 . . . . 0.0 110.733 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.09 -47.84 53.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.956 -169.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.19 -51.23 70.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.521 0.728 . . . . 0.0 112.468 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -59.05 -46.41 88.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.957 1.303 . . . . 0.0 111.344 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -69.57 -41.24 76.11 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.538 -0.726 . . . . 0.0 112.373 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.53 -34.76 70.32 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.507 -0.746 . . . . 0.0 112.67 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -65.9 -37.0 84.94 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.892 -1.13 . . . . 0.0 112.548 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.36 -44.33 96.73 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.595 -0.691 . . . . 0.0 112.639 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.59 -35.6 74.62 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.698 1.199 . . . . 0.0 113.516 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -63.74 -37.46 87.43 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.34 0.656 . . . . 0.0 112.514 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 72.8 mtm -74.76 -42.89 57.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.131 0.973 . . . . 0.0 112.153 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.13 84.28 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.675 0.79 . . . . 0.0 112.658 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.61 -29.05 69.8 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.846 -1.159 . . . . 0.0 113.586 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.29 -29.96 66.84 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.942 1.297 . . . . 0.0 112.763 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -82.21 -7.17 59.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.604 1.962 . . . . 0.0 113.013 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 85.05 38.52 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.341 3.056 . . . . 0.0 113.16 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 69.09 125.11 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.997 3.319 . . . . 0.0 114.053 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -171.06 17.52 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.87 . . . . 0.0 114.21 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.4 m -42.86 -48.65 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -161.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.38 -41.48 99.54 Favored Glycine 0 N--CA 1.476 1.313 0 CA-C-N 119.64 1.109 . . . . 0.0 113.104 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 72.6 m -70.27 -34.88 73.33 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.647 -0.914 . . . . 0.0 112.361 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -62.4 -40.91 98.03 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.404 1.002 . . . . 0.0 112.193 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.19 -46.52 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.683 1.193 . . . . 0.0 109.776 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.27 -48.55 70.1 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.208 0.527 . . . . 0.0 112.398 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 49.1 ttt85 -51.6 -41.15 61.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.584 1.954 . . . . 0.0 112.627 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -38.95 69.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.987 0.915 . . . . 0.0 112.468 -177.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mm -61.56 -44.45 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.571 1.148 . . . . 0.0 110.535 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.69 -34.41 73.89 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.673 -0.642 . . . . 0.0 110.812 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -66.19 -40.97 90.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.439 1.096 . . . . 0.0 112.319 173.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.86 81.83 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.713 -0.617 . . . . 0.0 112.573 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -32.03 72.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.343 1.057 . . . . 0.0 112.287 -175.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -62.36 -21.72 65.54 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.911 1.284 . . . . 0.0 114.417 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -97.57 -33.1 11.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.595 1.158 . . . . 0.0 112.448 171.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.34 -36.07 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 125.345 1.458 . . . . 0.0 112.872 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.482 1.133 0 C-N-CA 125.446 1.498 . . . . 0.0 111.214 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.18 0.038 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.71 172.12 7.01 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.886 1.275 . . . . 0.0 112.348 168.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 135.26 46.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.684 1.594 . . . . 0.0 110.855 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.33 94.75 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 126.178 1.791 . . . . 0.0 108.148 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 t -113.24 112.84 24.42 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.962 1.705 . . . . 0.0 111.179 -170.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.51 170.61 15.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.408 1.083 . . . . 0.0 112.979 -162.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -125.59 86.5 2.55 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.267 1.827 . . . . 0.0 109.563 -167.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -81.7 168.11 18.44 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 110.76 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.0 m -107.07 165.21 11.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.615 0.766 . . . . 0.0 111.619 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -54.35 -45.78 72.8 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.76 -51.4 67.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.13 -42.95 91.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.486 1.114 . . . . 0.0 111.226 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -66.5 -45.09 80.75 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.519 0.728 . . . . 0.0 112.704 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.14 -41.4 88.22 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.124 0.969 . . . . 0.0 112.155 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.43 -42.82 92.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.728 1.211 . . . . 0.0 111.975 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.86 -45.04 91.25 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 172.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.35 -38.61 87.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.732 0.813 . . . . 0.0 112.902 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.03 -41.2 96.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.363 1.065 . . . . 0.0 111.086 176.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.05 -42.41 66.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 112.405 172.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.01 68.5 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.297 1.439 . . . . 0.0 112.998 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.444 1.02 . . . . 0.0 113.134 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -76.87 -16.67 59.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.906 1.283 . . . . 0.0 113.021 174.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -98.5 1.87 47.06 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.647 1.979 . . . . 0.0 111.932 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 70.32 59.67 0.24 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.658 2.383 . . . . 0.0 112.345 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.286 10.0 pt-20 48.12 83.74 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.383 3.073 . . . . 0.0 115.175 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -141.8 59.83 1.48 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.845 1.658 . . . . 0.0 108.63 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.34 138.66 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.171 -0.956 . . . . 0.0 110.922 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.73 -45.34 2.72 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.457 1.503 . . . . 0.0 111.505 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 m -62.09 -40.47 95.94 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.479 -1.012 . . . . 0.0 111.286 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -59.29 -43.47 92.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.89 0.876 . . . . 0.0 112.143 172.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -51.32 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 124.749 1.22 . . . . 0.0 109.57 172.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.33 -48.74 78.52 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.341 0.656 . . . . 0.0 109.964 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -56.76 -38.2 72.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.996 0.918 . . . . 0.0 113.321 174.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -40.91 91.32 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.773 1.17 . . . . 0.0 112.154 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.33 -43.47 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.692 1.597 . . . . 0.0 110.178 174.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.42 -34.82 72.94 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 111.26 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -59.11 -49.07 79.28 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.017 1.727 . . . . 0.0 110.734 169.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.654 1.182 . . . . 0.0 113.774 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -29.86 70.4 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.47 1.508 . . . . 0.0 112.886 -173.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -65.8 -23.53 66.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.344 1.857 . . . . 0.0 113.694 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -145.36 30.86 1.11 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.689 1.596 . . . . 0.0 114.834 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.8 mt -49.61 -41.59 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.055 0.942 . . . . 0.0 112.261 172.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.7 2.0 . . . . 0.0 112.794 177.241 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -85.72 168.03 14.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 111.716 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.91 118.83 22.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.285 1.834 . . . . 0.0 109.681 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 t -130.32 95.73 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.168 1.787 . . . . 0.0 108.845 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -108.11 116.61 32.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.502 1.521 . . . . 0.0 112.731 -177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.26 157.14 18.15 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.901 1.68 . . . . 0.0 110.344 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -129.71 88.52 2.69 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.329 1.452 . . . . 0.0 111.168 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -84.32 166.74 17.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.757 1.623 . . . . 0.0 112.467 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 72.1 p -132.74 87.4 2.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 122.146 0.974 . . . . 0.0 112.483 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 58.04 -77.67 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.379 2.672 . . . . 0.0 113.675 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -51.88 62.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.822 1.649 . . . . 0.0 112.612 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -57.68 -43.6 85.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.664 1.185 . . . . 0.0 112.201 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -65.71 -41.08 92.75 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.84 0.745 . . . . 0.0 112.573 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -37.42 85.69 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.683 0.793 . . . . 0.0 112.393 177.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -60.46 -43.91 96.42 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.126 0.875 . . . . 0.0 111.019 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 -43.45 91.21 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.58 -38.05 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -67.46 -37.66 83.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.658 1.183 . . . . 0.0 112.348 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 45.0 mtp -64.98 -52.21 57.49 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.164 1.786 . . . . 0.0 110.196 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.529 ' HB3' ' H ' ' B' ' 56' ' ' SER . . . -57.75 -35.8 71.22 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.96 1.704 . . . . 0.0 114.077 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.68 -26.12 66.87 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.033 0.833 . . . . 0.0 112.993 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -72.72 -27.6 62.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.095 0.958 . . . . 0.0 113.242 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.64 -0.91 57.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.753 1.221 . . . . 0.0 112.726 166.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.9 53.42 0.14 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 128.488 2.715 . . . . 0.0 112.41 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 73.15 102.14 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 129.024 2.93 . . . . 0.0 114.066 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.529 ' H ' ' HB3' ' B' ' 50' ' ' ALA . 30.6 p -152.99 30.29 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.894 2.877 . . . . 0.0 110.893 -169.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.77 118.41 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 120.387 -1.445 . . . . 0.0 111.401 -167.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.81 -47.22 1.32 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.587 1.565 . . . . 0.0 111.498 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -59.16 -35.62 73.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.066 -1.255 . . . . 0.0 111.637 169.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.1 -37.19 86.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.856 0.862 . . . . 0.0 112.886 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -49.68 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.124 0.97 . . . . 0.0 109.558 173.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -60.16 -50.35 74.03 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 123.299 0.64 . . . . 0.0 110.473 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -48.24 -47.65 35.72 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -43.47 77.05 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.129 1.372 . . . . 0.0 112.798 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 19.2 mm -66.0 -39.47 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 125.049 1.34 . . . . 0.0 110.193 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.62 -27.53 51.17 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.385 1.074 . . . . 0.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -63.02 -45.77 90.75 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.941 1.696 . . . . 0.0 111.523 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.12 85.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.672 0.789 . . . . 0.0 112.697 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -30.01 71.12 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.259 1.424 . . . . 0.0 113.068 -173.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.39 -24.8 65.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.774 1.23 . . . . 0.0 113.819 173.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -158.39 68.75 0.48 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.201 1.401 . . . . 0.0 113.539 170.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 30.8 mt -53.21 -41.38 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.357 1.063 . . . . 0.0 113.634 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.562 1.945 . . . . 0.0 114.971 -171.8 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -75.74 100.95 4.86 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 120.363 -1.461 . . . . 0.0 110.926 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 137.69 58.26 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.554 1.142 . . . . 0.0 112.231 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.1 t -130.91 86.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.424 1.89 . . . . 0.0 108.991 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -106.25 106.29 16.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.475 1.11 . . . . 0.0 111.406 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -132.17 165.26 24.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.807 1.643 . . . . 0.0 112.75 -168.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -135.81 84.08 2.06 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.0 1.72 . . . . 0.0 109.716 -164.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -76.89 172.83 12.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.01 1.724 . . . . 0.0 110.944 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -108.3 160.79 15.58 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.625 0.77 . . . . 0.0 111.282 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.61 -50.54 62.86 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 123.262 0.625 . . . . 0.0 112.376 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.42 -49.29 77.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.021 0.828 . . . . 0.0 112.373 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -57.6 -47.03 83.29 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.65 1.18 . . . . 0.0 111.397 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -68.36 -48.53 64.56 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.659 0.783 . . . . 0.0 111.884 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -38.0 84.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.638 1.175 . . . . 0.0 112.129 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -44.35 85.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.102 0.864 . . . . 0.0 111.532 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.36 -37.75 74.65 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.74 -41.78 98.1 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.342 1.057 . . . . 0.0 112.428 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.16 -36.7 82.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.573 1.149 . . . . 0.0 112.207 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.5 mtm -72.47 -41.61 65.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.704 1.201 . . . . 0.0 112.128 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.38 66.74 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.683 1.193 . . . . 0.0 113.584 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -56.67 -26.52 56.55 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.591 1.087 . . . . 0.0 113.251 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.26 -31.04 67.04 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.006 0.922 . . . . 0.0 112.962 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.62 2.47 53.08 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.205 2.202 . . . . 0.0 112.863 169.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 72.87 46.72 0.24 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.048 2.539 . . . . 0.0 113.074 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 55.19 83.31 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.777 3.231 . . . . 0.0 115.041 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 t -136.91 62.97 1.58 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.24 1.816 . . . . 0.0 109.65 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.83 -41.87 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.884 1.273 . . . . 0.0 112.806 -165.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.96 99.71 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.3 0.952 . . . . 0.0 112.644 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -68.37 -40.24 81.52 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.597 -0.943 . . . . 0.0 111.327 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.511 0.724 . . . . 0.0 111.724 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -51.64 -60.69 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.817 1.247 . . . . 0.0 109.039 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -62.29 -45.03 95.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.52 0.2 . . . . 0.0 111.092 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -50.12 -43.29 51.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.732 2.013 . . . . 0.0 111.221 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -36.34 71.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.412 1.006 . . . . 0.0 113.413 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.98 -48.54 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.735 1.614 . . . . 0.0 109.6 169.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -37.67 81.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.955 1.302 . . . . 0.0 110.949 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.86 -47.2 86.12 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.674 1.99 . . . . 0.0 111.226 173.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.23 80.3 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 112.627 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -24.13 65.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.509 1.923 . . . . 0.0 113.673 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -57.72 -34.02 69.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.043 0.937 . . . . 0.0 113.196 173.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -153.74 56.47 0.74 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.158 1.383 . . . . 0.0 112.624 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.72 -55.19 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.434 1.494 . . . . 0.0 113.336 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.943 1.697 . . . . 0.0 113.096 -174.644 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.84 171.4 15.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.049 1.74 . . . . 0.0 111.393 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.89 119.08 21.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.57 1.548 . . . . 0.0 110.556 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.28 100.52 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 126.815 2.046 . . . . 0.0 107.884 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -121.85 98.89 6.16 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.839 1.655 . . . . 0.0 111.012 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -120.34 175.73 5.82 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.251 1.821 . . . . 0.0 113.538 -173.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.58 91.38 2.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.988 2.515 . . . . 0.0 109.17 -164.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -78.79 170.19 17.06 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.664 0.786 . . . . 0.0 111.141 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -108.26 168.13 9.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.856 0.862 . . . . 0.0 111.819 162.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.57 -46.87 67.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.412 1.085 . . . . 0.0 112.68 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.82 -54.45 45.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.326 1.05 . . . . 0.0 112.041 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -53.51 -45.83 69.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.073 1.749 . . . . 0.0 111.705 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -70.08 -42.37 72.85 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.342 0.657 . . . . 0.0 112.116 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -64.46 -38.1 89.83 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.507 1.123 . . . . 0.0 112.489 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -50.46 73.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.641 1.176 . . . . 0.0 110.332 171.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.75 -29.2 66.51 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.37 -41.42 89.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.257 1.023 . . . . 0.0 112.841 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -63.34 -36.28 83.17 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.635 0.774 . . . . 0.0 111.956 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 77.9 mtp -67.72 -46.47 72.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.566 1.546 . . . . 0.0 111.567 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.24 -26.55 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.252 1.421 . . . . 0.0 113.943 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.98 -27.09 65.05 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.248 1.385 . . . . 0.0 113.086 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.35 -29.12 63.5 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.272 1.029 . . . . 0.0 112.562 172.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -89.21 7.33 35.89 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.725 2.01 . . . . 0.0 112.182 168.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.55 45.19 1.14 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.739 2.416 . . . . 0.0 113.787 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 57.51 80.7 0.16 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.83 3.252 . . . . 0.0 113.601 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -136.9 43.75 2.37 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.616 1.966 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -43.58 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.435 1.894 . . . . 0.0 114.725 -168.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.18 88.07 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 124.23 0.919 . . . . 0.0 112.438 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -68.0 -44.79 75.77 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 123.567 0.747 . . . . 0.0 111.399 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.34 89.02 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.371 0.987 . . . . 0.0 112.229 -178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 32.3 mt -57.17 -45.39 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.937 1.295 . . . . 0.0 110.191 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.48 -62.16 1.94 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.652 0.381 . . . . 0.0 110.204 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -53.92 -29.46 42.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.999 2.12 . . . . 0.0 114.145 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.72 -38.94 93.01 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.258 1.39 . . . . 0.0 112.654 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.5 mt -71.76 -41.72 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 126.49 1.916 . . . . 0.0 110.978 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 mt -64.84 -36.45 84.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.278 0.944 . . . . 0.0 110.933 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.95 -44.44 94.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.188 2.195 . . . . 0.0 111.709 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.28 92.74 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.767 0.827 . . . . 0.0 112.613 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -24.89 68.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.828 1.651 . . . . 0.0 113.303 -176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -53.62 -39.38 64.88 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.32 1.048 . . . . 0.0 112.266 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -157.57 74.19 0.74 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.127 1.771 . . . . 0.0 111.372 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 27.2 mm -48.04 -54.38 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 125.486 1.514 . . . . 0.0 112.178 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 126.457 1.903 . . . . 0.0 112.274 -179.08 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.261 3.5 t . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -102.39 86.66 2.85 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.675 1.99 . . . . 0.0 111.779 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 118.93 7.35 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.662 1.585 . . . . 0.0 112.079 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -130.96 94.9 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.076 1.75 . . . . 0.0 108.981 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -108.6 124.84 51.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.855 1.662 . . . . 0.0 112.707 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -124.19 171.54 9.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.775 2.03 . . . . 0.0 111.988 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -129.88 80.94 1.99 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.489 1.915 . . . . 0.0 109.212 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -75.03 161.87 29.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.17 1.788 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.51 161.07 15.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.718 -0.614 . . . . 0.0 110.943 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -54.56 -40.07 68.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.618 0.367 . . . . 0.0 111.822 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.75 -53.43 58.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.878 1.271 . . . . 0.0 112.103 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.2 -43.92 87.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.229 1.412 . . . . 0.0 111.487 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.5 -51.46 69.36 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.468 1.507 . . . . 0.0 111.338 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.77 -41.22 97.41 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.244 1.418 . . . . 0.0 112.76 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -60.14 -42.39 94.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.769 0.827 . . . . 0.0 111.129 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -35.38 79.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 174.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.23 -42.08 96.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.503 -0.748 . . . . 0.0 112.611 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -65.2 -32.21 73.77 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.161 -0.962 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.0 mtm -70.62 -44.95 66.17 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.572 1.549 . . . . 0.0 112.483 167.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -57.05 -28.58 62.67 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.028 1.331 . . . . 0.0 113.8 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -57.7 -27.29 62.79 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.853 0.861 . . . . 0.0 113.097 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.64 -29.55 65.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.794 1.238 . . . . 0.0 112.997 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -93.55 3.6 55.28 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.027 1.731 . . . . 0.0 112.596 169.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 70.17 53.98 0.34 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.198 2.599 . . . . 0.0 112.526 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 62.23 95.45 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.102 2.961 . . . . 0.0 113.941 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.508 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 t -149.41 39.07 0.8 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.401 1.48 . . . . 0.0 110.574 -177.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -53.9 128.79 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.461 0.705 . . . . 0.0 109.92 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.5 -54.01 0.56 Allowed Glycine 0 N--CA 1.473 1.113 0 C-N-CA 124.603 1.097 . . . . 0.0 111.394 -170.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -71.45 -38.98 71.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.454 0.702 . . . . 0.0 111.643 171.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.02 -39.14 88.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.41 0.684 . . . . 0.0 112.446 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.15 -55.89 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.169 1.387 . . . . 0.0 109.615 171.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -55.3 -56.12 23.64 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 124.419 1.088 . . . . 0.0 110.071 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.91 -45.41 30.73 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.24 1.816 . . . . 0.0 111.865 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.79 -44.92 79.99 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.801 0.81 . . . . 0.0 112.639 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.2 -43.25 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.033 1.733 . . . . 0.0 110.351 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -32.91 68.71 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 110.593 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.42 -46.44 83.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.708 1.603 . . . . 0.0 111.901 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.14 93.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.681 0.793 . . . . 0.0 112.363 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.92 -14.59 63.08 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.25 1.82 . . . . 0.0 113.963 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.82 -37.4 71.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.464 1.106 . . . . 0.0 112.397 164.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -160.13 70.25 0.43 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.724 2.009 . . . . 0.0 112.783 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mm -54.86 -36.58 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.394 1.078 . . . . 0.0 112.202 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 128.599 2.759 . . . . 0.0 114.945 175.815 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -93.68 99.03 11.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.608 1.563 . . . . 0.0 112.33 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.36 122.48 14.66 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.979 1.712 . . . . 0.0 110.969 166.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.57 95.76 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 127.657 2.383 . . . . 0.0 109.059 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.8 t -115.8 136.91 52.6 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.882 1.273 . . . . 0.0 112.741 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.93 162.66 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 111.492 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -124.21 91.35 3.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.484 1.914 . . . . 0.0 109.777 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -79.52 175.74 10.33 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.343 1.457 . . . . 0.0 112.498 174.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -110.61 171.75 7.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.357 1.063 . . . . 0.0 111.408 168.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -58.26 -35.99 72.59 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.68 -59.29 5.63 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.216 . . . . 0.0 112.238 174.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.04 -50.12 20.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.373 2.269 . . . . 0.0 112.069 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -65.6 -44.29 87.03 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.399 1.08 . . . . 0.0 112.528 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.63 -33.97 71.58 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.69 -0.631 . . . . 0.0 112.481 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.08 -43.92 97.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.138 0.881 . . . . 0.0 111.198 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.93 -43.74 94.75 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.38 -41.51 89.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -68.31 -32.0 71.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.292 1.037 . . . . 0.0 113.077 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 34.7 mtp -72.07 -46.26 57.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.065 1.746 . . . . 0.0 111.192 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.23 -20.06 63.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.873 1.669 . . . . 0.0 114.017 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.18 -28.18 51.08 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.82 1.191 . . . . 0.0 113.0 167.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.99 -31.69 68.3 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.082 0.953 . . . . 0.0 112.608 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -86.12 2.72 45.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.934 2.094 . . . . 0.0 112.941 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 70.08 43.96 0.83 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.732 2.413 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 54.4 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.459 3.504 . . . . 0.0 116.039 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.39 -46.58 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.133 1.373 . . . . 0.0 111.603 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 t 71.68 140.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 129.243 3.017 . . . . 0.0 113.137 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.51 -42.81 3.14 Favored Glycine 0 N--CA 1.471 0.992 0 C-N-CA 126.151 1.834 . . . . 0.0 111.501 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -59.13 -37.01 76.23 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.822 1.249 . . . . 0.0 112.015 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.86 -41.35 97.74 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.131 0.972 . . . . 0.0 112.223 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -49.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.298 1.439 . . . . 0.0 109.709 175.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -60.63 -54.46 45.11 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 123.015 0.526 . . . . 0.0 109.944 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -53.18 -39.77 63.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.293 1.037 . . . . 0.0 112.648 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.61 -46.62 75.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.014 1.326 . . . . 0.0 112.757 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.8 mm -62.37 -44.68 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 125.768 1.627 . . . . 0.0 109.531 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mp -68.6 -36.74 79.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.434 1.094 . . . . 0.0 110.664 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.78 -45.56 92.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.654 1.582 . . . . 0.0 111.749 172.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.8 91.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.688 0.795 . . . . 0.0 112.538 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -29.52 67.51 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.288 1.835 . . . . 0.0 113.044 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -54.56 -35.02 62.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.979 1.711 . . . . 0.0 112.962 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -158.97 59.12 0.42 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.221 1.808 . . . . 0.0 113.371 -175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 44.8 mm -47.93 -45.07 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.64 1.176 . . . . 0.0 112.517 171.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.392 1.877 . . . . 0.0 112.191 178.08 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 121.25 0.548 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -118.41 95.12 4.73 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.267 1.827 . . . . 0.0 111.07 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 128.68 37.76 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 111.121 166.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.8 t -145.97 118.59 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.618 1.567 . . . . 0.0 110.077 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 t -123.48 128.66 50.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.51 1.924 . . . . 0.0 112.611 -170.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -130.59 166.94 19.56 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.999 1.719 . . . . 0.0 112.867 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -118.48 84.35 2.17 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 127.026 2.13 . . . . 0.0 110.44 -170.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -77.59 -179.4 5.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.812 2.045 . . . . 0.0 112.235 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 t -134.9 166.12 23.73 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.834 0.854 . . . . 0.0 112.395 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.69 -51.52 37.74 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.873 1.669 . . . . 0.0 112.759 -164.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.07 -52.46 64.19 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.171 1.388 . . . . 0.0 113.231 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -61.22 -40.46 94.09 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.207 1.003 . . . . 0.0 111.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -69.3 -50.11 49.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.586 0.708 . . . . 0.0 112.315 177.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -37.8 87.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.243 -176.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -67.25 -38.94 86.0 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.243 -0.911 . . . . 0.0 112.207 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.18 -28.97 64.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.36 -44.57 82.84 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.386 1.075 . . . . 0.0 113.003 166.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -63.79 -34.68 78.44 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.434 -0.791 . . . . 0.0 112.41 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.1 mtp -68.26 -38.42 81.73 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.759 1.224 . . . . 0.0 112.16 171.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.53 -20.61 64.81 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -58.28 -22.72 53.74 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 119.912 1.233 . . . . 0.0 113.712 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -66.74 -32.82 74.36 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.374 1.47 . . . . 0.0 112.846 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -94.97 5.14 52.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.715 2.406 . . . . 0.0 113.17 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 65.82 47.12 2.14 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.123 2.169 . . . . 0.0 113.1 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 60.1 98.19 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.761 3.225 . . . . 0.0 114.383 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.459 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 73.2 m -138.76 38.48 2.19 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.581 2.352 . . . . 0.0 109.585 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.64 113.83 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.24 1.416 . . . . 0.0 109.732 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.97 -58.15 0.65 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 125.582 1.563 . . . . 0.0 111.035 -171.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m -65.06 -38.18 89.97 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.96 -0.73 . . . . 0.0 112.134 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -42.38 98.74 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.46 -0.775 . . . . 0.0 111.47 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.1 mt -57.36 -47.59 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.866 0.866 . . . . 0.0 110.504 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -59.98 -52.5 65.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.945 0.498 . . . . 0.0 110.976 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.28 -27.51 65.89 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.12 -33.03 74.86 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.53 -1.356 . . . . 0.0 113.118 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.3 mm -67.44 -41.77 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.145 1.378 . . . . 0.0 110.784 167.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.03 -34.6 73.46 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.502 -0.749 . . . . 0.0 111.164 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.11 -34.01 75.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.683 1.993 . . . . 0.0 112.547 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.63 -33.14 35.98 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 171.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -18.74 65.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.614 -168.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -55.1 -21.77 14.09 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -97.97 -2.61 40.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.807 1.243 . . . . 0.0 114.238 173.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -116.55 -23.13 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 126.882 2.073 . . . . 0.0 112.929 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.293 2.237 . . . . 0.0 113.021 170.179 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.47 171.26 8.67 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.876 1.271 . . . . 0.0 111.313 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.34 132.01 35.04 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.539 1.136 . . . . 0.0 111.789 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -136.48 95.04 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.548 1.939 . . . . 0.0 109.385 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.8 t -106.64 127.17 53.13 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.212 1.005 . . . . 0.0 111.236 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.56 165.79 24.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.933 1.693 . . . . 0.0 110.995 -169.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -131.5 75.36 1.65 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.303 1.441 . . . . 0.0 111.347 -174.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.78 176.54 0.52 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.841 1.256 . . . . 0.0 112.643 168.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.8 p -128.36 169.49 14.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.517 1.127 . . . . 0.0 111.533 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.76 -40.56 63.25 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -166.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.61 -55.83 26.42 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.066 1.346 . . . . 0.0 113.063 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -57.85 -40.28 79.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.712 1.205 . . . . 0.0 112.048 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -67.51 -44.08 79.31 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.411 1.085 . . . . 0.0 112.168 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -66.16 -40.77 90.79 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.954 0.902 . . . . 0.0 112.871 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -36.79 75.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.918 0.887 . . . . 0.0 112.207 173.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -39.32 47.33 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.9 -39.11 84.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.917 1.287 . . . . 0.0 112.825 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.89 -39.44 89.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.605 1.162 . . . . 0.0 111.705 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -39.72 83.43 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.438 1.095 . . . . 0.0 112.585 173.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.51 -21.55 64.32 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.99 -24.76 55.93 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 121.147 -0.971 . . . . 0.0 113.559 168.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.04 -15.76 61.07 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.446 1.898 . . . . 0.0 113.634 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.03 9.65 11.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.578 2.351 . . . . 0.0 111.677 174.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.19 62.93 0.68 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.392 2.277 . . . . 0.0 113.214 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.26 9.5 pt-20 47.64 81.66 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.309 2.644 . . . . 0.0 115.189 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -137.62 46.0 2.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.293 1.837 . . . . 0.0 109.908 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.71 112.28 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.548 1.139 . . . . 0.0 110.426 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.27 -54.85 0.74 Allowed Glycine 0 N--CA 1.477 1.379 0 C-N-CA 125.188 1.375 . . . . 0.0 111.755 -171.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.4 m -62.39 -37.75 86.96 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.053 -1.263 . . . . 0.0 111.205 167.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.53 -40.74 95.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 15.6 mt -56.16 -53.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.761 1.224 . . . . 0.0 109.734 174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -61.9 -50.28 72.84 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.868 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -56.65 -37.66 71.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.53 0.732 . . . . 0.0 112.028 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -44.62 66.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.23 0.923 . . . . 0.0 112.689 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.29 -45.31 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.066 1.346 . . . . 0.0 109.309 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -33.2 65.86 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.348 1.059 . . . . 0.0 110.744 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.94 -40.27 87.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.096 0.958 . . . . 0.0 112.466 171.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.45 86.69 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.553 -0.717 . . . . 0.0 112.397 171.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -21.58 65.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.931 1.692 . . . . 0.0 114.013 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -60.13 -26.35 66.19 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -155.64 64.77 0.6 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.41 1.084 . . . . 0.0 113.105 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 3.6 mt -52.42 -39.13 27.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 125.916 1.686 . . . . 0.0 113.778 176.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.804 2.042 . . . . 0.0 114.372 -178.556 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.85 168.81 17.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.67 1.988 . . . . 0.0 111.744 174.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.84 106.83 8.7 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.548 1.939 . . . . 0.0 109.752 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.93 78.63 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.763 1.225 . . . . 0.0 109.545 -157.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -108.22 121.54 45.08 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.039 1.335 . . . . 0.0 112.339 -164.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.87 166.25 23.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.807 2.043 . . . . 0.0 112.152 -174.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -128.66 89.09 2.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.982 2.113 . . . . 0.0 110.137 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.32 174.73 10.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.257 1.423 . . . . 0.0 111.879 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -120.21 157.84 28.24 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.128 0.971 . . . . 0.0 110.878 172.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.94 -43.95 70.24 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 123.819 0.847 . . . . 0.0 113.074 -168.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.32 -53.76 54.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.146 0.885 . . . . 0.0 112.544 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -60.81 -39.33 88.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.973 0.909 . . . . 0.0 112.137 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -66.96 -53.34 32.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.452 0.701 . . . . 0.0 111.884 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -40.29 88.13 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 111.826 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -59.34 -39.91 84.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.113 0.87 . . . . 0.0 112.479 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.63 -30.32 61.6 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.346 0.975 . . . . 0.0 113.489 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.1 -44.64 91.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.428 -0.795 . . . . 0.0 112.266 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -62.97 -35.63 80.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.367 1.467 . . . . 0.0 112.002 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mmm -66.91 -49.38 65.75 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.845 2.058 . . . . 0.0 111.621 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.39 66.26 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -57.48 -24.83 58.06 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.572 1.078 . . . . 0.0 112.912 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.81 -35.59 74.95 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.16 0.984 . . . . 0.0 112.935 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 1.48 33.13 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.321 1.848 . . . . 0.0 112.706 168.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 76.48 40.54 0.22 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.48 2.712 . . . . 0.0 113.085 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.66 100.14 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 129.493 3.117 . . . . 0.0 113.951 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.2 p -147.37 37.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.008 2.123 . . . . 0.0 112.168 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -48.57 -47.26 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 125.106 1.362 . . . . 0.0 114.529 -160.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.2 -41.22 99.42 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.624 0.63 . . . . 0.0 113.098 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 m -69.44 -39.29 77.91 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.539 -0.977 . . . . 0.0 111.324 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.88 -42.64 89.98 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.761 0.824 . . . . 0.0 111.515 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.4 -59.35 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.437 1.095 . . . . 0.0 109.167 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.92 -42.75 99.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -55.2 -42.32 73.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.773 2.029 . . . . 0.0 112.275 174.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -40.35 82.53 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.363 0.983 . . . . 0.0 111.815 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.6 -44.8 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.847 1.659 . . . . 0.0 110.15 173.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.58 -37.34 79.77 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.905 0.882 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.05 -41.87 99.58 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.525 1.53 . . . . 0.0 112.133 173.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.43 92.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.798 0.839 . . . . 0.0 111.612 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.0 -32.82 73.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.662 1.185 . . . . 0.0 112.25 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -18.29 8.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.102 2.161 . . . . 0.0 115.024 169.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -115.07 -31.53 6.01 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.013 2.125 . . . . 0.0 113.354 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.4 -47.36 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.054 1.742 . . . . 0.0 111.103 172.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.683 1.593 . . . . 0.0 113.567 178.338 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.84 167.77 19.54 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.044 1.338 . . . . 0.0 112.781 169.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.13 113.33 12.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.844 2.058 . . . . 0.0 109.22 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.61 93.24 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.815 1.646 . . . . 0.0 109.081 -163.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -122.62 107.85 12.43 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.375 1.47 . . . . 0.0 111.547 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.59 177.7 4.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.495 1.918 . . . . 0.0 111.955 -174.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -138.68 84.41 2.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.528 1.931 . . . . 0.0 109.454 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.77 178.91 1.55 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.808 1.243 . . . . 0.0 111.076 170.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.436 ' H ' ' HG3' ' B' ' 42' ' ' GLN . 11.1 t -128.12 170.57 12.8 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.597 1.159 . . . . 0.0 109.906 164.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.31 -51.52 53.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 0.0 113.016 -160.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.85 -66.77 0.37 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.919 1.287 . . . . 0.0 112.408 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.436 ' HG3' ' H ' ' B' ' 39' ' ' SER . 4.5 pt20 -59.1 -24.45 62.96 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.252 1.421 . . . . 0.0 114.578 -175.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.77 -55.89 6.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.297 1.039 . . . . 0.0 111.557 168.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -28.41 70.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.025 0.93 . . . . 0.0 112.86 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -31.73 73.02 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.953 1.701 . . . . 0.0 111.094 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.36 -38.45 22.0 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 166.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -57.93 -37.8 74.76 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.215 -0.928 . . . . 0.0 113.335 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -33.98 76.65 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.617 1.167 . . . . 0.0 112.354 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 70.5 mtm -74.71 -42.81 57.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.483 1.113 . . . . 0.0 111.739 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.13 67.49 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.29 -26.9 66.86 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.143 -0.973 . . . . 0.0 113.299 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.69 -32.02 67.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.288 1.035 . . . . 0.0 112.759 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -80.34 -1.6 41.8 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.006 1.722 . . . . 0.0 112.659 168.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 79.46 42.41 0.07 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 128.926 2.89 . . . . 0.0 112.43 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 63.22 101.97 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 129.246 3.018 . . . . 0.0 114.178 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.9 p -149.88 26.76 0.81 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.465 1.906 . . . . 0.0 112.66 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . 0.29 3.6 p -56.31 -32.92 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 120.597 1.544 . . . . 0.0 114.778 -162.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.41 -41.4 63.13 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.617 1.103 . . . . 0.0 114.008 171.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -81.82 -35.43 29.45 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.617 1.567 . . . . 0.0 112.802 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -57.62 -41.54 81.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.288 1.035 . . . . 0.0 111.584 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.1 mt -51.62 -58.19 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.329 1.852 . . . . 0.0 108.894 174.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -52.55 65.16 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.42 0.688 . . . . 0.0 111.534 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -54.68 -37.21 65.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 0.0 111.765 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.19 -43.39 61.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 113.381 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.25 -45.56 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.004 1.722 . . . . 0.0 109.602 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -37.16 75.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.532 1.133 . . . . 0.0 110.171 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.93 -43.45 94.94 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.655 1.182 . . . . 0.0 112.049 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.75 89.19 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.502 0.721 . . . . 0.0 112.466 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -25.8 67.68 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.448 1.899 . . . . 0.0 113.796 -177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.08 -25.13 63.51 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.182 0.993 . . . . 0.0 113.498 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -152.02 50.96 0.79 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.194 1.798 . . . . 0.0 113.536 -172.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.36 -54.23 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.182 0.993 . . . . 0.0 111.703 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.198 1.799 . . . . 0.0 112.623 172.698 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -77.41 72.29 3.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.319 1.448 . . . . 0.0 111.401 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.82 126.89 29.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.578 1.151 . . . . 0.0 111.397 169.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.7 t -144.65 118.7 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.12 1.768 . . . . 0.0 109.147 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -124.97 136.83 54.1 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 126.105 1.762 . . . . 0.0 112.593 -165.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -136.66 163.41 30.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.019 1.727 . . . . 0.0 112.096 -168.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -122.22 89.86 3.19 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.727 1.611 . . . . 0.0 111.022 -174.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -83.68 176.3 9.08 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.136 2.175 . . . . 0.0 112.596 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.0 p -128.57 168.7 15.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.511 1.524 . . . . 0.0 112.043 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.26 -53.04 18.55 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.972 0.909 . . . . 0.0 113.391 -173.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.99 -49.97 74.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.745 0.818 . . . . 0.0 112.599 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.98 -38.32 88.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 0.0 112.297 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -70.71 -51.09 29.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.53 1.132 . . . . 0.0 111.86 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -37.24 86.94 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.36 1.064 . . . . 0.0 113.193 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -64.65 -29.07 70.06 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.129 -0.982 . . . . 0.0 112.926 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.73 -37.1 42.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.75 -43.2 99.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.941 0.896 . . . . 0.0 113.258 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.3 -28.23 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.538 -0.726 . . . . 0.0 112.765 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.6 mtm -69.19 -43.23 74.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.118 0.967 . . . . 0.0 111.283 167.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -60.83 -28.39 68.78 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.37 -24.55 60.24 Favored 'General case' 0 CA--C 1.555 1.144 0 O-C-N 121.027 -1.046 . . . . 0.0 113.715 170.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -32.96 72.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.994 1.317 . . . . 0.0 113.259 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.02 -1.03 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.752 2.021 . . . . 0.0 113.306 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 75.03 43.23 0.22 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.917 2.487 . . . . 0.0 112.909 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 69.56 111.92 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 130.058 3.343 . . . . 0.0 114.27 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 83.8 p -151.99 25.28 0.64 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.961 2.104 . . . . 0.0 111.327 -173.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.9 116.97 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.807 1.243 . . . . 0.0 110.476 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.82 -51.66 0.73 Allowed Glycine 0 N--CA 1.476 1.31 0 C-N-CA 125.357 1.456 . . . . 0.0 111.916 -169.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -72.22 -41.19 67.15 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.813 -0.816 . . . . 0.0 112.139 170.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.93 -39.63 78.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.858 -0.526 . . . . 0.0 111.784 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.81 -52.07 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.483 1.513 . . . . 0.0 110.555 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -47.96 78.54 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.623 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.08 -37.9 62.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.232 1.013 . . . . 0.0 113.4 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -37.7 77.34 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.479 1.111 . . . . 0.0 112.453 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.5 mm -68.05 -43.28 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.785 1.234 . . . . 0.0 111.055 170.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -37.14 81.8 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.358 -0.839 . . . . 0.0 110.187 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.14 -39.32 92.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.328 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.34 83.84 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.2 mt -67.79 -25.63 65.69 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.112 1.365 . . . . 0.0 113.071 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -64.79 -21.61 66.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 169.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -152.88 48.03 0.72 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.469 1.108 . . . . 0.0 113.456 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.7 mt -48.55 -37.75 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.185 1.394 . . . . 0.0 113.47 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 126.824 2.05 . . . . 0.0 110.818 177.786 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -87.79 165.55 15.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.124 0.97 . . . . 0.0 111.596 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.29 129.3 44.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.305 1.442 . . . . 0.0 110.318 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -133.93 91.98 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.073 1.749 . . . . 0.0 109.315 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -98.51 133.79 42.38 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.01 0.924 . . . . 0.0 111.497 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.07 162.52 28.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.677 1.991 . . . . 0.0 110.434 -173.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -133.63 77.56 1.73 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.95 1.7 . . . . 0.0 109.812 -169.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.87 -175.55 3.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.736 1.614 . . . . 0.0 112.449 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -127.97 169.29 14.16 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.194 0.998 . . . . 0.0 111.876 163.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -50.18 -41.92 50.19 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 112.838 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.87 -53.91 53.06 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.626 1.17 . . . . 0.0 113.289 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.48 -42.16 98.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.074 0.549 . . . . 0.0 111.535 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.72 -44.55 66.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.997 0.519 . . . . 0.0 112.337 -178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -35.63 77.21 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.4 -0.813 . . . . 0.0 112.387 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -66.23 -38.24 87.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 174.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -38.29 79.64 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.75 -39.63 92.29 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.682 1.193 . . . . 0.0 113.026 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.58 -34.28 77.88 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.597 0.759 . . . . 0.0 111.758 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.81 72.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.045 0.938 . . . . 0.0 112.477 168.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.464 ' HB2' ' H ' ' B' ' 56' ' ' SER . . . -60.85 -29.13 69.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.63 -20.83 35.81 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.43 1.092 . . . . 0.0 113.823 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.64 -38.57 89.74 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.103 1.361 . . . . 0.0 113.007 170.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -80.52 -15.0 57.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.677 1.591 . . . . 0.0 113.278 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 93.88 36.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 129.55 3.14 . . . . 0.0 112.154 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 77.05 112.44 0.07 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 130.567 3.547 . . . . 0.0 113.512 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' B' ' 50' ' ' ALA . 81.8 p -153.47 25.37 0.52 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.747 2.019 . . . . 0.0 111.262 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -53.04 120.48 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.163 -0.961 . . . . 0.0 111.416 -175.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.21 -54.56 0.63 Allowed Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.19 1.376 . . . . 0.0 111.239 -168.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.2 m -74.61 -40.56 61.47 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.538 -0.978 . . . . 0.0 111.746 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.81 -35.17 75.81 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 mt -55.43 -55.18 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.058 1.343 . . . . 0.0 109.611 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -61.99 -47.14 86.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.21 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -50.27 -43.19 53.26 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.256 0.935 . . . . 0.0 111.652 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.46 -38.52 65.43 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.4 mm -62.12 -48.91 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.249 1.42 . . . . 0.0 109.852 169.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.69 74.91 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.604 1.162 . . . . 0.0 110.408 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -64.89 -45.99 83.61 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.567 1.147 . . . . 0.0 111.563 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.86 69.05 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.2 -23.62 66.47 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.803 1.641 . . . . 0.0 113.815 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.68 -21.52 65.8 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -154.63 35.8 0.41 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.545 1.138 . . . . 0.0 113.772 -164.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 28.4 mt -46.42 -45.5 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.069 1.347 . . . . 0.0 113.567 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.249 1.061 0 C-N-CA 126.394 1.878 . . . . 0.0 110.783 179.091 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.871 0.367 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -91.69 86.18 5.89 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.331 1.452 . . . . 0.0 111.155 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.32 141.54 50.78 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -139.88 97.06 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.391 2.276 . . . . 0.0 108.748 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t -118.78 117.18 28.21 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.905 1.282 . . . . 0.0 110.819 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.77 165.26 26.34 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.016 1.327 . . . . 0.0 112.461 -167.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -124.39 86.52 2.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.545 1.538 . . . . 0.0 110.967 -168.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -72.66 169.94 15.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.639 1.576 . . . . 0.0 111.445 172.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -116.65 160.33 20.87 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.953 0.901 . . . . 0.0 111.141 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -44.14 -54.43 5.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.121 1.369 . . . . 0.0 113.685 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.94 -48.22 82.61 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.487 1.115 . . . . 0.0 113.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -61.96 -42.81 99.54 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.091 0.956 . . . . 0.0 111.233 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.83 -43.1 76.22 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.03 0.919 . . . . 0.0 112.736 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -34.79 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 112.26 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -64.19 -39.44 93.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.481 1.037 . . . . 0.0 113.038 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.23 -41.12 97.14 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.625 1.102 . . . . 0.0 112.435 170.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.16 -37.51 85.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.645 1.178 . . . . 0.0 112.734 173.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -37.08 85.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.342 0.657 . . . . 0.0 112.221 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 50.7 mtm -72.57 -43.78 62.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.791 0.836 . . . . 0.0 111.794 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -60.27 -43.29 96.31 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.944 0.898 . . . . 0.0 112.949 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -62.67 -28.52 69.98 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.075 -1.016 . . . . 0.0 113.468 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.65 -19.39 63.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.645 1.578 . . . . 0.0 113.371 173.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -110.25 0.65 18.2 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.755 2.022 . . . . 0.0 112.76 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 84.46 47.23 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 128.854 2.862 . . . . 0.0 113.756 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 76.93 120.28 0.05 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 130.037 3.335 . . . . 0.0 114.031 176.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.45 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 21.8 t -163.72 16.33 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.973 1.709 . . . . 0.0 111.019 -169.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -60.46 131.44 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 120.31 -1.494 . . . . 0.0 111.093 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.51 -57.86 0.74 Allowed Glycine 0 N--CA 1.469 0.867 0 C-N-CA 125.443 1.497 . . . . 0.0 109.946 -168.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.292 -1.122 . . . . 0.0 111.981 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.77 -37.56 79.41 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.912 0.885 . . . . 0.0 112.663 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.32 -55.53 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.783 0.833 . . . . 0.0 109.445 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.46 -47.07 87.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.67 -41.56 70.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.61 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.78 -41.1 79.26 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.366 1.079 . . . . 0.0 112.321 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.53 -41.74 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.285 1.434 . . . . 0.0 110.282 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.86 -36.17 75.31 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.45 0.7 . . . . 0.0 110.669 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.88 -41.69 99.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.208 1.003 . . . . 0.0 111.934 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.45 85.45 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.94 0.896 . . . . 0.0 113.118 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.94 -26.02 68.4 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 113.25 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -58.62 -30.1 66.99 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.415 1.086 . . . . 0.0 113.629 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -160.01 50.78 0.31 Allowed 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -48.86 -39.67 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.822 1.249 . . . . 0.0 113.541 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.249 1.075 0 C-N-CA 126.564 1.946 . . . . 0.0 110.9 -177.83 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -105.34 172.29 6.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.658 1.183 . . . . 0.0 111.112 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.97 132.61 36.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.106 . . . . 0.0 111.673 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.44 99.27 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.92 2.088 . . . . 0.0 108.168 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -117.53 122.2 43.05 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.014 1.325 . . . . 0.0 111.594 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.2 mt -142.76 171.41 14.1 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.346 1.859 . . . . 0.0 112.065 -164.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -136.49 95.39 3.15 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.394 1.878 . . . . 0.0 108.913 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -77.82 177.28 8.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.251 1.421 . . . . 0.0 110.738 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -125.25 162.39 24.82 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.325 0.65 . . . . 0.0 111.249 164.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.67 -31.28 69.4 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -162.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.94 -49.91 72.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.506 1.122 . . . . 0.0 112.873 171.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.03 -42.56 85.57 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.028 1.731 . . . . 0.0 111.46 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -70.44 -43.35 70.05 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.565 0.746 . . . . 0.0 112.649 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.08 -39.6 93.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.619 1.168 . . . . 0.0 113.103 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -65.27 -34.22 77.83 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.491 -0.755 . . . . 0.0 111.605 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.17 -33.44 61.46 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.32 -41.02 90.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.859 1.264 . . . . 0.0 113.026 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.98 -27.52 63.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.219 0.608 . . . . 0.0 112.455 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 13.4 mtm -70.06 -46.26 65.34 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.987 0.915 . . . . 0.0 112.405 163.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.486 ' HB2' ' H ' ' B' ' 56' ' ' SER . . . -59.88 -28.43 67.54 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -56.24 -27.14 53.95 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 169.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.17 -29.79 65.63 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.935 1.294 . . . . 0.0 113.375 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -89.67 -0.41 57.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.075 2.15 . . . . 0.0 112.9 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 72.33 47.29 0.28 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 127.734 2.414 . . . . 0.0 112.732 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 64.36 113.4 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 129.855 3.262 . . . . 0.0 114.645 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 50' ' ' ALA . 41.8 m -154.34 28.21 0.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.011 2.125 . . . . 0.0 110.759 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -55.98 132.84 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 120.501 -1.375 . . . . 0.0 111.751 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.86 -46.22 1.63 Allowed Glycine 0 N--CA 1.475 1.261 0 C-N-CA 125.332 1.444 . . . . 0.0 112.023 -173.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -70.39 -39.83 74.3 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.366 -1.079 . . . . 0.0 111.068 166.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.53 -38.04 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.271 -0.893 . . . . 0.0 112.783 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 41.8 mt -56.1 -51.77 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.456 1.103 . . . . 0.0 110.395 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -61.91 -50.99 69.96 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.846 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -54.69 -38.67 67.28 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.754 1.221 . . . . 0.0 112.596 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.36 -44.85 90.12 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.561 1.172 . . . . 0.0 112.241 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.47 -44.09 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 125.798 1.639 . . . . 0.0 110.473 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -29.8 65.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.64 0.776 . . . . 0.0 111.044 -176.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.41 -45.36 66.08 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.958 1.303 . . . . 0.0 111.965 169.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.22 72.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.634 0.774 . . . . 0.0 112.795 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.28 -19.51 65.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.492 1.517 . . . . 0.0 113.985 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.61 -34.24 77.8 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.061 0.944 . . . . 0.0 112.449 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -151.94 73.75 1.07 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.951 2.1 . . . . 0.0 111.974 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.0 mm -49.67 -40.67 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 121.114 -0.991 . . . . 0.0 112.982 170.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 126.595 1.958 . . . . 0.0 112.496 177.531 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.27 80.56 2.38 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.159 1.784 . . . . 0.0 110.669 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.09 119.66 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.438 2.295 . . . . 0.0 110.844 166.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 98.89 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.47 1.908 . . . . 0.0 109.394 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -108.57 123.12 48.43 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.42 1.888 . . . . 0.0 112.527 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.36 168.09 12.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.405 1.882 . . . . 0.0 112.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.67 77.48 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.947 2.099 . . . . 0.0 110.098 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.11 168.38 12.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.187 1.795 . . . . 0.0 111.44 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -117.77 167.98 10.88 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.288 1.035 . . . . 0.0 111.297 171.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.94 -41.75 75.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -165.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.96 -52.99 61.8 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.958 1.253 . . . . 0.0 112.824 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -53.76 -47.63 70.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.39 1.476 . . . . 0.0 110.808 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -60.75 -49.04 79.09 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.307 . . . . 0.0 111.816 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.71 -43.43 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.04 1.336 . . . . 0.0 112.407 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -44.19 91.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.303 1.041 . . . . 0.0 111.404 173.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.05 -43.52 95.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.863 0.756 . . . . 0.0 112.568 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.71 -38.4 90.32 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.531 -0.731 . . . . 0.0 112.73 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -68.57 -33.49 74.16 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.193 1.397 . . . . 0.0 112.247 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.6 mtm -67.02 -50.37 62.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.916 0.887 . . . . 0.0 110.73 167.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.18 69.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.871 1.269 . . . . 0.0 113.991 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -56.23 -28.38 58.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.195 1.398 . . . . 0.0 112.709 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -70.03 -31.74 69.53 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.412 1.085 . . . . 0.0 112.588 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.43 0.59 57.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.917 2.087 . . . . 0.0 112.909 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 77.83 50.79 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.407 2.683 . . . . 0.0 112.685 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 55.42 82.39 0.1 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 129.471 3.108 . . . . 0.0 114.547 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 76.0 p -118.19 25.09 10.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 128.224 2.609 . . . . 0.0 112.234 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -44.84 -51.85 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 126.165 1.786 . . . . 0.0 114.689 -155.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.02 -37.73 91.98 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.0 1.286 . . . . 0.0 113.756 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.3 m -75.69 -37.08 59.83 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.239 1.416 . . . . 0.0 111.995 171.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -60.48 -41.99 95.34 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.205 0.911 . . . . 0.0 111.789 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.4 mt -51.61 -57.58 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.402 1.481 . . . . 0.0 109.979 171.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.98 -44.72 96.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.999 0.919 . . . . 0.0 111.463 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -55.73 -39.5 71.19 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.46 1.904 . . . . 0.0 111.951 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.69 -40.87 79.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.414 1.006 . . . . 0.0 112.828 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.07 -42.45 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.201 1.4 . . . . 0.0 110.215 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.39 -36.03 73.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.793 0.837 . . . . 0.0 111.051 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.51 -43.93 93.25 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.511 1.524 . . . . 0.0 111.292 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.73 88.38 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.6 -28.13 69.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.576 1.551 . . . . 0.0 112.869 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -54.77 -36.06 64.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.945 1.298 . . . . 0.0 112.779 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -155.94 75.45 0.9 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.492 1.517 . . . . 0.0 112.64 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.54 -36.73 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.433 1.093 . . . . 0.0 113.458 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.858 1.663 . . . . 0.0 111.796 -179.153 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 121.398 0.618 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.49 170.09 9.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.401 2.281 . . . . 0.0 111.04 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.16 115.86 21.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.212 1.405 . . . . 0.0 110.529 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.83 89.74 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.597 1.559 . . . . 0.0 109.638 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -117.89 128.86 55.23 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.099 0.96 . . . . 0.0 113.489 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.45 172.19 13.36 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.402 1.481 . . . . 0.0 113.064 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -130.36 83.48 2.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.372 1.869 . . . . 0.0 110.019 -161.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.8 -177.81 5.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.612 1.965 . . . . 0.0 111.833 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -129.11 173.71 10.22 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.604 1.161 . . . . 0.0 111.139 164.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.08 -35.63 67.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.722 1.209 . . . . 0.0 113.45 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.31 -50.67 69.14 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.895 -1.128 . . . . 0.0 112.564 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.81 -47.32 86.86 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.041 1.736 . . . . 0.0 111.235 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.81 -38.2 82.98 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.753 -0.592 . . . . 0.0 112.406 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -65.07 -39.36 93.11 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -43.59 95.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.228 0.611 . . . . 0.0 112.003 172.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.1 -47.39 86.51 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.461 0.704 . . . . 0.0 112.578 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.83 -40.18 83.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.798 0.839 . . . . 0.0 112.811 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -62.77 -36.14 82.1 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.151 0.98 . . . . 0.0 112.187 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 47.8 mtm -74.96 -42.06 58.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.593 1.557 . . . . 0.0 112.522 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.56 60.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.932 1.693 . . . . 0.0 114.359 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.39 -23.05 56.02 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.824 1.193 . . . . 0.0 113.038 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -70.76 -35.3 72.56 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.054 -1.029 . . . . 0.0 112.867 170.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -75.83 -1.7 26.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.777 1.631 . . . . 0.0 113.065 166.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 69.34 40.39 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.341 2.256 . . . . 0.0 111.941 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 65.1 115.95 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 130.606 3.562 . . . . 0.0 114.965 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 39.7 t -144.38 -55.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.158 1.383 . . . . 0.0 110.239 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 t 68.46 141.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 129.432 3.093 . . . . 0.0 112.786 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.06 -39.75 2.07 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.636 1.589 . . . . 0.0 112.216 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.9 t -59.78 -40.76 89.34 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.499 -1.001 . . . . 0.0 111.321 171.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.41 -39.83 76.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.468 1.107 . . . . 0.0 112.508 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -52.88 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.306 1.443 . . . . 0.0 109.47 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -62.07 -50.32 72.45 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.285 0.634 . . . . 0.0 110.215 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -51.9 -42.85 63.04 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.903 1.681 . . . . 0.0 111.925 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.88 -44.89 75.97 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.204 1.002 . . . . 0.0 112.776 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.3 -39.24 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 126.106 1.762 . . . . 0.0 110.133 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.49 -32.97 64.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.309 1.043 . . . . 0.0 110.757 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -64.26 -48.19 76.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.116 1.366 . . . . 0.0 111.675 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.15 70.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.685 1.194 . . . . 0.0 112.846 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -27.62 68.82 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.31 -20.23 27.19 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.018 1.727 . . . . 0.0 114.037 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -115.66 -26.08 7.59 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.29 1.836 . . . . 0.0 113.775 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 25.7 mm -73.11 -34.7 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.524 1.53 . . . . 0.0 112.887 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.752 1.621 . . . . 0.0 113.423 173.132 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.535 0.369 0 CA-C-O 121.157 0.503 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -118.17 95.77 5.04 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.922 1.689 . . . . 0.0 112.362 -174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 132.56 53.51 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.726 1.21 . . . . 0.0 111.557 170.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -142.88 103.95 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.511 1.925 . . . . 0.0 109.402 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -102.89 127.33 50.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.121 1.369 . . . . 0.0 112.062 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.9 164.49 22.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.029 2.132 . . . . 0.0 111.396 -168.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.83 81.86 1.99 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.28 1.432 . . . . 0.0 110.297 -166.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -82.52 172.95 12.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.457 1.903 . . . . 0.0 112.319 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -85.59 145.9 27.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 121.987 -0.446 . . . . 0.0 109.824 162.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.36 -29.41 63.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.893 0.477 . . . . 0.0 111.708 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.54 -56.43 16.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.708 -1.245 . . . . 0.0 111.906 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -60.54 -38.36 84.23 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.897 1.279 . . . . 0.0 111.858 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -57.85 -54.26 48.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.762 1.225 . . . . 0.0 111.753 173.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.959 0.903 . . . . 0.0 112.943 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -60.81 -42.18 97.16 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.524 -0.735 . . . . 0.0 111.473 171.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -31.04 71.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 170.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.35 -40.02 93.07 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.734 -1.229 . . . . 0.0 112.467 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -64.53 -35.48 81.09 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.813 0.845 . . . . 0.0 112.541 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.9 mtp -65.72 -48.94 70.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.25 1.42 . . . . 0.0 110.747 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -62.85 -32.09 73.24 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.886 1.274 . . . . 0.0 114.002 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -26.47 66.35 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.634 1.106 . . . . 0.0 112.169 174.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -71.98 -25.57 61.91 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.536 1.134 . . . . 0.0 112.68 173.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -97.16 2.67 51.35 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.731 2.012 . . . . 0.0 112.081 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.5 52.5 0.17 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.331 2.652 . . . . 0.0 112.96 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 59.85 102.06 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.668 3.187 . . . . 0.0 115.262 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.523 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 79.9 p -145.9 27.1 1.21 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.623 2.369 . . . . 0.0 111.397 -173.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.38 115.01 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.788 1.235 . . . . 0.0 110.234 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.64 -51.32 0.71 Allowed Glycine 0 N--CA 1.473 1.105 0 C-N-CA 125.138 1.351 . . . . 0.0 112.274 -170.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.22 -39.05 92.26 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.088 -1.242 . . . . 0.0 111.205 166.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.25 -39.25 94.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.839 0.855 . . . . 0.0 112.424 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mt -55.18 -58.07 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.583 1.153 . . . . 0.0 109.346 170.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -56.94 -50.94 71.07 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.891 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -44.9 -45.88 10.59 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.501 1.92 . . . . 0.0 111.67 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -40.65 74.6 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.92 -44.92 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.352 1.461 . . . . 0.0 110.031 170.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -35.02 75.94 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 110.55 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.14 -50.57 67.67 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.01 1.724 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.67 -25.0 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.57 -24.82 67.72 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.182 1.793 . . . . 0.0 113.244 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -54.56 -44.46 72.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.848 1.259 . . . . 0.0 111.993 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 80.64 1.75 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.001 2.121 . . . . 0.0 110.929 168.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.5 mt -51.07 -50.95 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.122 0.969 . . . . 0.0 111.796 167.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.462 1.905 . . . . 0.0 114.973 -178.737 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.673 0.273 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -73.5 159.69 32.81 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.103 1.361 . . . . 0.0 110.965 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.85 108.31 12.85 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.165 1.786 . . . . 0.0 110.123 -175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 44.0 t -132.06 92.02 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.021 1.328 . . . . 0.0 109.826 -167.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -114.88 122.3 45.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.818 1.247 . . . . 0.0 112.23 -170.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -111.6 163.82 13.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.373 1.869 . . . . 0.0 110.614 -174.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -133.23 81.73 1.95 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.558 1.543 . . . . 0.0 109.58 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -69.68 167.46 16.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.902 0.881 . . . . 0.0 111.561 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -117.09 92.64 3.91 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.583 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 35.11 -67.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 1 C-N-CA 132.268 4.227 . . . . 0.0 116.691 169.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.95 -50.76 60.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.974 1.31 . . . . 0.0 111.972 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -54.49 -47.12 73.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.437 1.495 . . . . 0.0 111.773 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.93 -46.27 82.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.564 0.746 . . . . 0.0 111.738 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.45 -34.47 78.36 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 125.269 1.428 . . . . 0.0 113.346 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -38.31 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.866 1.267 . . . . 0.0 111.215 171.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.97 -31.14 58.87 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.71 -40.57 97.57 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.818 -1.176 . . . . 0.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -62.41 -34.04 75.95 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.405 1.482 . . . . 0.0 112.062 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mtm -71.44 -44.46 64.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.61 1.164 . . . . 0.0 112.607 167.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.12 -28.97 63.15 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.187 0.903 . . . . 0.0 113.254 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -56.97 -23.79 48.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.152 1.381 . . . . 0.0 113.635 171.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.24 -42.61 93.18 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.791 1.236 . . . . 0.0 112.397 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.72 -3.69 54.34 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.555 1.542 . . . . 0.0 113.276 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 92.6 37.63 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.834 3.254 . . . . 0.0 112.331 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 67.72 90.39 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.589 3.156 . . . . 0.0 112.922 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 65.6 p -142.61 44.69 1.61 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.213 2.205 . . . . 0.0 109.857 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.08 142.67 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.902 0.858 . . . . 0.0 111.553 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -53.46 0.82 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.784 1.659 . . . . 0.0 110.463 -164.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -68.94 -48.73 62.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.575 -0.956 . . . . 0.0 112.461 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.76 -44.28 93.93 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.493 0.588 . . . . 0.0 111.205 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.56 -51.39 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 128.004 2.522 . . . . 0.0 110.452 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -62.47 -57.21 12.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.903 0.481 . . . . 0.0 110.934 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -49.41 -39.26 31.98 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.271 1.428 . . . . 0.0 112.912 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.16 -37.93 75.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.532 1.06 . . . . 0.0 113.238 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.3 mm -64.1 -48.84 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.678 1.191 . . . . 0.0 109.548 168.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.48 -30.52 68.43 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.296 0.498 . . . . 0.0 111.637 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -46.25 90.61 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 126.784 2.034 . . . . 0.0 111.558 168.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.47 82.75 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -17.86 64.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.782 2.033 . . . . 0.0 113.401 -174.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.6 -33.71 73.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.686 1.195 . . . . 0.0 113.564 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -148.27 34.43 0.8 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -160.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 mt -44.21 -45.48 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 126.324 1.85 . . . . 0.0 112.616 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 127.973 2.509 . . . . 0.0 111.71 173.31 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.926 0.393 . . . . 0.0 111.726 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -122.98 100.38 6.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.069 1.748 . . . . 0.0 111.196 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 125.74 24.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.289 1.036 . . . . 0.0 111.303 168.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.3 t -148.99 116.36 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.058 1.743 . . . . 0.0 109.941 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -132.87 143.3 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 125.475 1.51 . . . . 0.0 114.024 -170.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.41 -179.25 6.63 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 127.527 2.331 . . . . 0.0 112.786 -173.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.61 95.1 3.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.608 1.963 . . . . 0.0 109.597 -163.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.37 -166.56 0.19 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.553 1.941 . . . . 0.0 113.1 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m -139.54 160.76 39.11 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 120.996 -1.065 . . . . 0.0 110.852 155.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.44 -50.94 38.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.522 1.129 . . . . 0.0 113.376 -164.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.78 -48.75 80.43 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.038 0.935 . . . . 0.0 112.568 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.53 -39.6 94.83 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.681 1.193 . . . . 0.0 111.985 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.93 -49.21 60.02 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.354 0.662 . . . . 0.0 112.257 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -35.27 76.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.8 1.24 . . . . 0.0 112.365 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -61.63 -41.1 97.0 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.0 0.818 . . . . 0.0 111.332 171.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.13 -33.76 65.72 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.91 -41.5 95.53 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.699 1.2 . . . . 0.0 113.596 173.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -32.37 73.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.058 0.543 . . . . 0.0 112.391 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.9 mtm -76.22 -34.34 59.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.496 1.118 . . . . 0.0 113.477 170.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.42 68.27 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.22 -23.52 56.06 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -71.66 -31.5 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.386 1.474 . . . . 0.0 113.395 171.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -86.43 -4.81 59.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.416 1.887 . . . . 0.0 113.266 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 80.17 41.79 0.06 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.593 2.757 . . . . 0.0 113.423 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.35 100.35 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 129.038 2.935 . . . . 0.0 113.559 -176.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m -152.79 36.24 0.49 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.401 1.881 . . . . 0.0 112.474 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -46.53 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -166.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.84 98.92 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-N 119.284 0.947 . . . . 0.0 112.31 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 m -68.85 -37.83 79.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.074 0.95 . . . . 0.0 111.907 175.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -45.32 93.02 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.696 0.798 . . . . 0.0 111.175 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.6 mt -56.32 -53.38 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.183 172.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -45.74 92.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 -175.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -57.73 -38.93 76.17 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 127.238 2.215 . . . . 0.0 113.038 175.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.5 -32.14 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.076 0.941 . . . . 0.0 112.734 -173.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.5 -45.33 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.584 1.153 . . . . 0.0 109.825 167.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.48 -37.67 71.29 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.245 -0.91 . . . . 0.0 110.812 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.56 -39.68 88.86 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.844 1.257 . . . . 0.0 111.696 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -38.19 57.14 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.65 -27.16 68.74 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.001 1.72 . . . . 0.0 113.562 -175.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.44 -22.33 54.07 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -155.86 52.37 0.57 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.076 1.35 . . . . 0.0 113.114 -172.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mt -47.5 -41.07 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 124.557 1.143 . . . . 0.0 113.289 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.152 0 C-N-CA 126.762 2.025 . . . . 0.0 111.732 175.246 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -79.21 116.87 19.74 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.365 1.866 . . . . 0.0 111.815 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 137.89 58.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.639 1.176 . . . . 0.0 111.147 166.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.9 t -138.97 116.31 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 127.879 2.472 . . . . 0.0 107.732 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -135.18 126.7 28.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.777 1.631 . . . . 0.0 110.921 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -136.64 169.77 17.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.03 1.732 . . . . 0.0 111.151 -164.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -132.27 83.54 2.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.127 1.371 . . . . 0.0 111.446 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -71.62 178.91 3.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.626 1.571 . . . . 0.0 112.455 170.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.4 m -137.23 164.81 27.64 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.702 1.201 . . . . 0.0 110.612 164.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -38.78 20.88 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.06 -51.31 67.19 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.164 1.347 . . . . 0.0 112.343 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.5 -38.24 89.16 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.464 1.506 . . . . 0.0 111.771 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -64.9 -46.34 82.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.094 0.958 . . . . 0.0 111.421 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.19 -39.36 75.27 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.373 1.069 . . . . 0.0 113.381 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -56.39 -39.25 72.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.643 0.777 . . . . 0.0 112.311 170.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.16 -41.1 62.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 172.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.73 -38.72 86.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.457 1.103 . . . . 0.0 113.22 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -68.86 -30.36 68.87 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.7 mtm -72.19 -44.0 63.67 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.467 1.107 . . . . 0.0 112.317 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.406 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.48 -28.48 65.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.787 1.235 . . . . 0.0 113.677 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.04 -25.73 61.57 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.76 -25.23 63.72 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.724 1.21 . . . . 0.0 113.725 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -101.89 2.12 37.72 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.011 2.524 . . . . 0.0 112.746 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 74.53 46.87 0.14 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.529 2.731 . . . . 0.0 113.828 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 64.73 99.48 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.739 2.816 . . . . 0.0 114.091 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.406 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 69.6 p -150.03 22.57 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.179 1.791 . . . . 0.0 113.089 -170.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.1 m -44.5 -44.98 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -164.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.13 -39.39 89.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.265 0.936 . . . . 0.0 113.778 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -81.58 -36.72 28.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.991 1.316 . . . . 0.0 112.529 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.23 -37.93 78.73 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.635 0.774 . . . . 0.0 112.437 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.3 mt -52.45 -53.4 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.263 1.425 . . . . 0.0 110.0 173.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -61.89 -49.18 77.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.981 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -39.12 62.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.919 1.288 . . . . 0.0 111.871 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.3 -40.42 67.54 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.177 -0.952 . . . . 0.0 112.755 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.45 -42.11 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.815 1.246 . . . . 0.0 110.872 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -37.16 76.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.727 0.811 . . . . 0.0 109.941 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.68 -40.36 95.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.22 1.008 . . . . 0.0 112.565 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.63 97.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 111.797 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.31 -26.92 68.27 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.854 -1.154 . . . . 0.0 113.319 -174.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -63.28 -14.07 45.5 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -120.77 -19.53 7.32 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.408 1.483 . . . . 0.0 114.112 176.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.43 -36.48 77.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 124.859 1.264 . . . . 0.0 112.052 169.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.25 1.096 0 C-N-CA 126.215 1.806 . . . . 0.0 114.729 178.581 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.72 92.06 3.85 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.998 -1.064 . . . . 0.0 111.587 -174.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.13 144.7 39.45 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.99 0.916 . . . . 0.0 113.359 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.6 t -138.67 92.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.236 2.215 . . . . 0.0 108.094 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t -118.65 115.83 25.33 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.236 1.014 . . . . 0.0 111.715 -171.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.3 168.79 14.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.471 1.508 . . . . 0.0 113.157 -172.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -130.76 65.17 1.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.487 1.915 . . . . 0.0 110.88 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -65.9 164.94 13.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.24 1.816 . . . . 0.0 112.726 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -87.93 160.79 17.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.58 -0.7 . . . . 0.0 111.402 165.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -51.06 -39.86 56.95 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.044 0.537 . . . . 0.0 112.01 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.91 -54.74 33.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.019 1.328 . . . . 0.0 112.677 176.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.72 -33.09 75.14 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.413 0.685 . . . . 0.0 112.593 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -66.76 -50.03 64.01 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.9 1.28 . . . . 0.0 112.165 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -58.71 -35.09 72.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.186 0.994 . . . . 0.0 112.724 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.72 -24.3 66.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.1 1.36 . . . . 0.0 114.123 170.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -81.79 -47.79 12.42 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.081 1.31 . . . . 0.0 112.914 159.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.53 -38.97 64.28 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.619 1.1 . . . . 0.0 113.745 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -69.98 -30.4 67.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.034 0.934 . . . . 0.0 113.096 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 51.6 mtm -80.08 -40.53 27.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.162 0.985 . . . . 0.0 112.169 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -59.22 -34.1 71.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.554 1.542 . . . . 0.0 113.068 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.94 -27.55 68.91 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.904 -1.122 . . . . 0.0 113.969 172.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.04 -26.27 61.24 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.881 1.272 . . . . 0.0 112.995 170.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.86 0.48 54.84 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.887 2.075 . . . . 0.0 112.545 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 69.28 44.96 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.666 2.386 . . . . 0.0 112.965 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 69.2 110.66 0.05 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.756 3.222 . . . . 0.0 113.899 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.495 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 6.8 t -153.31 29.1 0.49 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.514 1.926 . . . . 0.0 110.765 -174.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.36 132.32 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.02 -1.675 . . . . 0.0 112.461 -174.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.74 -45.06 3.43 Favored Glycine 0 N--CA 1.472 1.062 0 C-N-CA 126.129 1.823 . . . . 0.0 112.044 -174.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 m -64.74 -31.58 72.87 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.167 -1.196 . . . . 0.0 112.095 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.23 -40.25 81.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.587 1.155 . . . . 0.0 112.375 167.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -50.36 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.556 1.142 . . . . 0.0 110.721 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -60.47 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -61.92 -30.69 71.06 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.861 -1.15 . . . . 0.0 113.373 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -43.92 80.52 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.163 1.347 . . . . 0.0 111.8 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.3 mm -63.15 -43.0 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.595 1.158 . . . . 0.0 110.23 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.63 -32.47 67.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.418 0.687 . . . . 0.0 110.994 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -65.04 -45.71 84.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.77 1.228 . . . . 0.0 111.607 171.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.02 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.501 0.72 . . . . 0.0 112.895 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.97 69.21 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.055 1.342 . . . . 0.0 113.077 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -63.4 -21.74 66.46 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -158.59 50.47 0.39 Allowed 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.5 mm -48.36 -36.18 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.83 -1.169 . . . . 0.0 113.857 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 126.57 1.948 . . . . 0.0 110.705 176.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -82.79 175.01 10.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.431 1.092 . . . . 0.0 111.414 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 124.84 31.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.397 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.71 89.45 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.081 1.752 . . . . 0.0 108.541 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -112.07 119.72 39.41 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.712 1.205 . . . . 0.0 112.369 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.13 172.47 9.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.837 2.455 . . . . 0.0 111.053 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -136.4 82.86 1.97 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.057 1.743 . . . . 0.0 110.571 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -72.75 177.47 4.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.975 . . . . 0.0 110.741 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.1 m -126.01 173.23 9.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.658 0.783 . . . . 0.0 110.961 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -53.7 -38.11 63.94 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -165.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.4 -53.19 56.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.112 0.965 . . . . 0.0 112.899 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -57.72 -45.72 85.37 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.073 1.349 . . . . 0.0 111.229 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.57 -38.15 74.07 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.579 -0.7 . . . . 0.0 112.529 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -67.28 -41.13 85.96 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.808 0.843 . . . . 0.0 112.263 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -58.29 -43.69 88.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.779 0.718 . . . . 0.0 111.563 172.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -66.95 -37.74 84.83 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.99 -39.74 95.66 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.967 0.907 . . . . 0.0 113.249 171.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.05 -36.01 82.98 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.019 0.928 . . . . 0.0 111.977 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 48.6 mtp -73.06 -41.0 64.61 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.639 1.576 . . . . 0.0 112.143 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . . . -65.99 -15.42 63.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.046 1.738 . . . . 0.0 115.015 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.49 -21.88 18.51 Favored 'General case' 0 CA--C 1.556 1.196 0 O-C-N 121.107 -0.996 . . . . 0.0 113.385 166.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.21 -39.74 94.62 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.179 0.992 . . . . 0.0 113.081 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.8 3.49 54.26 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 128.154 2.581 . . . . 0.0 113.203 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 73.48 39.12 0.6 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.716 2.406 . . . . 0.0 113.22 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 62.11 131.09 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.163 3.385 . . . . 0.0 115.705 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.3 p -167.27 -32.32 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.373 1.869 . . . . 0.0 112.593 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t 55.9 -67.46 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 130.768 3.627 . . . . 0.0 115.678 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.09 97.2 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.989 1.268 . . . . 0.0 112.148 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -66.45 -36.78 83.63 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.689 -0.889 . . . . 0.0 111.71 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' B' ' 50' ' ' ALA . 4.6 t80 -65.67 -41.1 92.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.431 -0.793 . . . . 0.0 112.305 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -55.26 -49.47 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.864 0.866 . . . . 0.0 109.016 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.07 -49.85 72.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.077 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -60.1 -35.91 76.27 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.272 -0.892 . . . . 0.0 112.62 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -68.35 -43.38 77.6 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.621 1.201 . . . . 0.0 112.587 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.84 -42.3 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 125.176 1.39 . . . . 0.0 110.524 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -70.81 -32.26 69.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.352 0.661 . . . . 0.0 110.887 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.9 -45.39 82.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.06 0.944 . . . . 0.0 112.045 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.44 77.83 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.523 0.729 . . . . 0.0 112.677 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -19.86 66.07 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.274 1.829 . . . . 0.0 114.009 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.88 -26.47 68.17 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 170.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -157.27 49.24 0.44 Allowed 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -170.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 19.4 mt -51.33 -44.02 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 O-C-N 120.827 -1.171 . . . . 0.0 113.789 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.25 1.108 0 C-N-CA 126.195 1.798 . . . . 0.0 114.965 -176.181 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.28 85.33 4.6 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.82 1.248 . . . . 0.0 111.21 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.17 129.8 41.04 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.938 1.695 . . . . 0.0 111.936 174.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.1 t -144.53 104.87 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.746 . . . . 0.0 110.651 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -109.89 129.92 55.59 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.893 1.277 . . . . 0.0 113.781 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.08 171.1 11.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.235 2.214 . . . . 0.0 112.554 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.38 78.21 1.79 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.333 1.853 . . . . 0.0 110.488 -166.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.36 169.3 17.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.822 2.049 . . . . 0.0 111.886 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.7 p -90.42 165.54 13.77 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.425 -0.797 . . . . 0.0 111.959 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.69 -44.53 73.47 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.996 0.518 . . . . 0.0 111.308 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -51.86 65.53 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.203 1.001 . . . . 0.0 111.473 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -58.28 -40.12 81.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.237 1.415 . . . . 0.0 112.258 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -66.67 -53.05 38.02 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.277 1.831 . . . . 0.0 111.582 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.96 -36.86 78.02 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.139 1.376 . . . . 0.0 112.892 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -39.24 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.911 0.885 . . . . 0.0 111.771 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.05 -38.65 61.31 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 172.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.66 -42.33 92.58 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.237 -0.914 . . . . 0.0 112.567 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.02 -35.83 82.0 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.97 1.308 . . . . 0.0 112.349 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.6 mtm -68.13 -45.28 74.05 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.825 1.25 . . . . 0.0 111.643 170.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' HB3' ' H ' ' A' ' 56' ' ' SER . . . -61.19 -26.44 67.72 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.736 1.215 . . . . 0.0 113.952 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.16 -26.68 66.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.683 1.129 . . . . 0.0 113.383 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -72.08 -30.57 65.24 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.114 -0.991 . . . . 0.0 112.68 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.49 -0.27 36.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.354 1.862 . . . . 0.0 113.066 166.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 68.68 44.45 1.17 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.395 2.278 . . . . 0.0 112.364 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 71.3 109.04 0.06 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 130.224 3.41 . . . . 0.0 114.129 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.441 ' H ' ' HB3' ' A' ' 50' ' ' ALA . 3.7 t -155.11 23.53 0.43 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.53 1.532 . . . . 0.0 112.138 -169.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.35 128.76 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 120.276 -1.515 . . . . 0.0 110.413 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.75 -39.72 2.7 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.661 1.124 . . . . 0.0 113.334 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.7 m -75.76 -43.09 48.32 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.65 -0.912 . . . . 0.0 110.967 165.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.66 -43.8 69.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.187 1.395 . . . . 0.0 111.957 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.5 mt -47.87 -59.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.798 1.639 . . . . 0.0 110.175 171.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -60.04 -50.71 72.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.181 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -48.67 -46.23 40.0 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.192 0.905 . . . . 0.0 111.671 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.64 -41.17 79.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 112.496 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.2 mm -69.18 -38.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.678 1.591 . . . . 0.0 111.359 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -35.34 71.9 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.361 1.065 . . . . 0.0 110.361 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.93 -41.58 91.19 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.521 1.528 . . . . 0.0 112.348 171.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.08 94.44 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 112.429 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -25.4 68.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.144 1.377 . . . . 0.0 112.991 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.42 -33.94 68.42 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.963 1.305 . . . . 0.0 112.972 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -156.59 67.09 0.56 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.409 1.884 . . . . 0.0 113.078 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.7 mm -52.76 -40.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.584 1.154 . . . . 0.0 112.759 170.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.078 1.751 . . . . 0.0 113.96 179.034 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.91 0.386 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -83.26 171.51 13.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.583 1.553 . . . . 0.0 111.339 175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.74 17.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.839 1.656 . . . . 0.0 109.92 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 70.6 t -127.23 90.17 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 126.221 1.808 . . . . 0.0 108.622 -173.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -109.8 120.84 43.72 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.089 1.356 . . . . 0.0 111.407 -170.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.9 159.25 24.13 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.324 1.85 . . . . 0.0 110.29 -168.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -137.43 87.99 2.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.186 1.394 . . . . 0.0 109.89 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -79.54 171.61 14.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.537 1.535 . . . . 0.0 112.176 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -122.88 172.16 8.68 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.135 1.374 . . . . 0.0 111.061 164.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -48.72 -52.9 21.16 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.225 1.41 . . . . 0.0 113.717 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.79 -54.79 40.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.213 1.005 . . . . 0.0 112.802 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.9 -44.1 82.02 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.215 1.406 . . . . 0.0 112.057 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.82 -43.3 72.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.051 0.541 . . . . 0.0 111.929 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.033 1.333 . . . . 0.0 111.749 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -61.54 -46.94 87.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.119 0.872 . . . . 0.0 111.126 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.81 -24.82 62.63 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -43.33 73.44 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.044 1.338 . . . . 0.0 113.273 168.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.51 -34.97 76.41 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.647 -0.658 . . . . 0.0 112.214 174.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 67.8 mtp -70.7 -43.87 68.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.804 1.642 . . . . 0.0 112.213 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -26.59 66.74 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.452 1.101 . . . . 0.0 113.783 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.06 -25.39 61.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.915 0.886 . . . . 0.0 113.054 171.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.06 -27.34 63.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.078 0.951 . . . . 0.0 113.303 174.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -95.82 1.53 53.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.514 1.926 . . . . 0.0 112.624 169.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 76.85 50.49 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.664 2.785 . . . . 0.0 112.706 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 57.97 82.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.465 2.706 . . . . 0.0 114.099 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -138.38 62.1 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.566 1.946 . . . . 0.0 109.341 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -48.11 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.344 1.458 . . . . 0.0 113.938 -167.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.42 98.67 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 123.933 0.778 . . . . 0.0 111.766 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.77 -42.23 91.07 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.782 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.59 -41.25 93.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.659 1.118 . . . . 0.0 111.689 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.6 mt -54.87 -49.0 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.206 1.802 . . . . 0.0 109.329 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -57.94 -62.12 2.04 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 123.277 0.361 . . . . 0.0 110.704 172.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.81 -33.91 37.78 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.753 2.421 . . . . 0.0 112.605 -173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.0 -41.63 81.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.98 -41.98 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.15 1.38 . . . . 0.0 108.946 171.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -71.0 -37.46 72.67 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.602 -0.686 . . . . 0.0 111.249 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.04 -41.62 98.31 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.591 1.956 . . . . 0.0 111.862 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.23 81.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.037 0.935 . . . . 0.0 111.298 172.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.91 -33.16 71.5 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.073 1.349 . . . . 0.0 112.053 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -18.96 25.17 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.897 2.479 . . . . 0.0 115.507 170.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -111.08 -36.05 5.74 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.118 2.167 . . . . 0.0 112.859 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 62.9 mt -56.94 -40.15 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 126.698 1.999 . . . . 0.0 112.189 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.948 1.299 . . . . 0.0 112.895 172.731 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.47 74.22 6.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.684 1.594 . . . . 0.0 109.885 174.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 123.56 19.88 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.742 2.817 . . . . 0.0 112.164 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.82 99.87 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 126.831 2.052 . . . . 0.0 109.201 -173.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 t -108.83 114.2 27.78 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.138 1.375 . . . . 0.0 111.404 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.8 172.06 7.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.489 1.516 . . . . 0.0 112.538 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.79 75.27 1.59 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.692 2.397 . . . . 0.0 108.836 -170.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -73.56 177.35 5.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.933 1.693 . . . . 0.0 109.953 172.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.2 t -131.56 170.4 14.78 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.043 0.937 . . . . 0.0 111.584 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.45 -53.61 22.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.608 1.563 . . . . 0.0 113.458 -167.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.27 -49.23 76.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.204 0.911 . . . . 0.0 112.26 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -58.12 -45.83 86.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.248 1.419 . . . . 0.0 111.443 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.71 -44.36 74.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.332 1.453 . . . . 0.0 112.903 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -36.86 85.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 111.091 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -56.72 -50.11 73.15 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.42 0.688 . . . . 0.0 111.591 167.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 -42.46 94.55 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.021 0.928 . . . . 0.0 113.077 176.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.62 -38.36 90.83 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 173.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.19 94.67 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.504 -0.747 . . . . 0.0 111.466 175.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 49.4 mtp -68.26 -41.17 81.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.532 1.933 . . . . 0.0 111.92 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -55.87 -33.35 64.49 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.02 1.728 . . . . 0.0 113.859 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.75 -22.97 67.1 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -13.73 60.68 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.263 1.425 . . . . 0.0 113.094 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.67 4.83 13.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.244 1.818 . . . . 0.0 111.859 171.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 66.74 62.36 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.508 2.723 . . . . 0.0 113.062 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 68.1 98.25 0.06 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.447 2.699 . . . . 0.0 114.773 171.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.517 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 18.2 p -154.36 30.15 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.878 2.071 . . . . 0.0 111.927 -170.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.64 124.85 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 120.624 -1.298 . . . . 0.0 111.818 -169.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.37 -45.52 2.22 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.603 1.573 . . . . 0.0 111.998 -175.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.0 m -63.51 -34.72 78.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.345 -1.091 . . . . 0.0 111.36 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.31 -40.52 90.87 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.268 1.027 . . . . 0.0 112.16 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -55.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.986 1.314 . . . . 0.0 107.822 171.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.13 -53.96 52.45 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -174.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.0 tpt85 -50.03 -39.48 41.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.824 2.45 . . . . 0.0 112.712 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -37.8 82.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.347 1.059 . . . . 0.0 113.065 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.62 -41.22 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.486 1.515 . . . . 0.0 109.015 172.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.07 -38.61 75.8 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.306 0.642 . . . . 0.0 110.633 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -61.76 -48.29 81.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 125.979 1.712 . . . . 0.0 111.164 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.85 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.301 1.041 . . . . 0.0 113.224 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -26.13 68.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.804 1.642 . . . . 0.0 113.178 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -56.51 -41.61 76.98 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.678 1.191 . . . . 0.0 112.526 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -141.57 79.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.92 2.088 . . . . 0.0 111.286 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.4 mt -51.42 -40.66 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.173 0.989 . . . . 0.0 112.533 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 128.175 2.59 . . . . 0.0 114.799 177.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 121.025 0.44 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -94.57 99.23 11.41 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.526 1.531 . . . . 0.0 112.336 -175.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 124.45 20.77 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.502 1.521 . . . . 0.0 111.014 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 58.6 t -127.99 95.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.947 2.099 . . . . 0.0 109.126 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 t -115.34 123.6 49.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.068 1.347 . . . . 0.0 113.142 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.7 mt -142.5 165.34 27.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.705 1.602 . . . . 0.0 112.022 -162.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -129.18 97.41 4.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.861 2.065 . . . . 0.0 109.284 -173.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -72.26 -179.55 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.216 1.406 . . . . 0.0 112.121 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m -116.72 166.74 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.701 0.8 . . . . 0.0 111.374 162.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.47 -49.92 66.4 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.143 0.977 . . . . 0.0 112.871 -165.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.56 -52.29 66.29 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.799 1.24 . . . . 0.0 112.232 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.14 -43.27 82.28 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.405 1.482 . . . . 0.0 111.661 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -67.44 -43.05 82.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.017 0.527 . . . . 0.0 112.117 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.44 -33.98 76.27 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.787 1.235 . . . . 0.0 113.163 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.634 1.174 . . . . 0.0 110.528 171.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -39.26 92.69 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 172.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.21 -40.99 97.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.409 -0.807 . . . . 0.0 113.018 171.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.634 1.174 . . . . 0.0 111.954 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 23.6 mtm -67.77 -48.94 64.97 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.409 1.484 . . . . 0.0 111.765 169.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.6 -28.64 68.67 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.62 1.168 . . . . 0.0 113.542 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -27.14 66.08 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.531 1.06 . . . . 0.0 112.262 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -70.2 -32.36 70.23 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.488 1.115 . . . . 0.0 112.002 172.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -85.66 0.48 52.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.984 1.714 . . . . 0.0 112.485 170.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 74.15 48.4 0.13 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.671 2.788 . . . . 0.0 112.73 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 58.39 84.46 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.729 2.812 . . . . 0.0 114.104 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -141.32 43.49 1.77 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.474 2.31 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -46.59 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -168.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.0 98.13 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.858 0.742 . . . . 0.0 112.688 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 66.9 m -68.95 -38.9 79.72 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.642 -0.916 . . . . 0.0 111.626 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.84 -42.4 97.7 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.08 0.552 . . . . 0.0 111.68 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 mt -52.52 -52.94 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.534 1.534 . . . . 0.0 109.914 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -54.47 43.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.396 0.678 . . . . 0.0 110.886 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.33 -38.5 66.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.102 1.761 . . . . 0.0 113.069 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.0 -42.31 85.21 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.702 1.201 . . . . 0.0 111.973 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.3 mm -64.37 -47.55 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.266 1.826 . . . . 0.0 110.48 172.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -32.08 69.37 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.315 0.646 . . . . 0.0 110.563 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.5 -45.4 90.9 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.405 1.482 . . . . 0.0 111.905 169.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.89 82.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 172.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.51 -35.54 81.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.447 1.099 . . . . 0.0 111.687 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -59.47 -21.12 59.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.485 1.514 . . . . 0.0 114.466 170.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -101.76 -33.84 9.68 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.567 1.947 . . . . 0.0 112.894 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -63.71 -46.95 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.068 1.747 . . . . 0.0 110.935 173.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.65 1.58 . . . . 0.0 113.544 174.318 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -68.93 81.55 0.3 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.183 1.393 . . . . 0.0 111.35 170.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.11 123.53 15.58 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.398 1.079 . . . . 0.0 110.196 159.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -142.81 106.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.376 1.871 . . . . 0.0 109.092 -165.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -116.1 139.48 50.26 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.918 1.687 . . . . 0.0 112.566 -173.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -137.85 169.8 17.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.008 2.123 . . . . 0.0 111.703 -171.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.05 81.75 2.02 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.848 1.659 . . . . 0.0 111.001 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -79.62 -178.97 6.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.102 2.161 . . . . 0.0 112.464 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 m -143.41 167.43 22.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.095 1.358 . . . . 0.0 110.71 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.06 -57.13 6.22 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.405 1.482 . . . . 0.0 113.112 -161.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.32 -49.77 76.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.781 1.232 . . . . 0.0 112.809 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -62.53 -37.74 87.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.303 1.041 . . . . 0.0 112.016 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -67.92 -53.11 28.89 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.987 0.915 . . . . 0.0 111.303 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -33.62 75.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.582 1.153 . . . . 0.0 113.492 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -38.36 87.65 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.316 0.962 . . . . 0.0 111.914 169.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -36.08 61.01 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.09 -36.98 85.39 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.813 171.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.96 -37.66 87.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.359 1.464 . . . . 0.0 112.04 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 44.7 mtm -71.1 -44.35 65.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.51 0.724 . . . . 0.0 111.679 170.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.52 74.98 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.876 0.87 . . . . 0.0 113.331 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.52 -26.41 61.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.791 1.236 . . . . 0.0 113.885 174.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -82.54 -4.91 58.34 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.697 1.599 . . . . 0.0 113.324 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.79 0.93 6.72 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.324 2.649 . . . . 0.0 112.66 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 93.65 45.64 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.807 2.843 . . . . 0.0 113.991 170.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 47.83 78.38 0.08 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 128.104 2.562 . . . . 0.0 115.12 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -127.7 42.26 3.35 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.359 1.864 . . . . 0.0 110.508 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.18 -43.26 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.964 1.306 . . . . 0.0 113.512 -163.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.52 -39.31 94.81 Favored Glycine 0 N--CA 1.477 1.414 0 C-N-CA 124.682 1.134 . . . . 0.0 113.883 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -77.28 -35.83 54.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.308 1.043 . . . . 0.0 112.164 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.12 -42.32 98.32 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.59 -0.694 . . . . 0.0 111.517 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.1 mt -51.66 -57.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.97 1.308 . . . . 0.0 109.831 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.57 -47.67 84.66 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.536 0.684 . . . . 0.0 111.152 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -62.84 -30.15 71.28 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.914 -1.116 . . . . 0.0 113.39 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.79 -36.48 70.32 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.171 1.351 . . . . 0.0 113.035 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.89 -45.72 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.395 1.478 . . . . 0.0 109.822 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -36.07 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.673 0.789 . . . . 0.0 111.385 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -61.24 -41.22 96.51 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.872 1.269 . . . . 0.0 111.463 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.68 72.13 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 170.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.89 -26.61 68.68 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.911 1.684 . . . . 0.0 113.275 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.65 -22.99 58.22 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.385 1.074 . . . . 0.0 113.811 172.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -156.18 51.61 0.53 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.165 1.386 . . . . 0.0 113.522 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.3 mt -45.45 -43.42 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.114 1.366 . . . . 0.0 113.731 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.673 1.989 . . . . 0.0 110.88 177.615 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -103.86 107.53 18.45 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.544 1.138 . . . . 0.0 112.228 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.03 131.12 47.56 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.269 1.027 . . . . 0.0 111.021 168.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.83 103.55 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 127.213 2.205 . . . . 0.0 109.32 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -125.4 137.79 54.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.47 178.09 7.56 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 126.949 2.099 . . . . 0.0 112.441 -174.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -137.01 88.02 2.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.834 2.054 . . . . 0.0 109.631 -167.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.81 -177.61 2.87 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.252 1.021 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -130.95 167.47 18.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.735 0.814 . . . . 0.0 111.169 163.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -51.23 -43.36 61.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -165.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.98 -49.97 72.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.056 0.942 . . . . 0.0 112.616 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.78 -44.05 97.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.139 1.375 . . . . 0.0 111.56 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.54 -39.63 94.11 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.503 -0.748 . . . . 0.0 111.611 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.45 -40.45 81.07 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.543 1.137 . . . . 0.0 112.669 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.08 94.39 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.875 0.762 . . . . 0.0 112.153 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.59 -43.23 90.33 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.793 -0.567 . . . . 0.0 112.167 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.44 -38.33 83.79 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.066 0.947 . . . . 0.0 113.311 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -37.83 88.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.053 0.941 . . . . 0.0 112.048 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtm -72.99 -45.32 58.56 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.077 0.951 . . . . 0.0 111.685 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.58 79.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.89 0.876 . . . . 0.0 112.905 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -58.6 -27.54 64.76 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.013 -1.055 . . . . 0.0 113.658 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.49 -21.8 59.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.444 1.498 . . . . 0.0 113.325 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.16 -5.73 25.23 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.135 2.174 . . . . 0.0 113.061 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 98.54 42.42 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 129.728 3.211 . . . . 0.0 113.37 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 57.64 72.53 0.51 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.321 2.648 . . . . 0.0 114.042 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 71.5 p -113.66 26.82 10.05 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.692 2.397 . . . . 0.0 112.176 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.93 -45.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -153.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.92 -40.64 98.65 Favored Glycine 0 N--CA 1.475 1.267 0 O-C-N 121.356 -0.84 . . . . 0.0 113.568 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.6 m -71.87 -35.78 69.91 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.515 -0.991 . . . . 0.0 112.051 172.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.93 -41.73 96.77 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.323 0.649 . . . . 0.0 112.07 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.53 -47.32 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.081 1.352 . . . . 0.0 110.099 176.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.82 -47.23 75.74 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 112.137 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -55.94 -38.56 70.47 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.968 -1.083 . . . . 0.0 112.887 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.61 -40.29 80.45 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.292 0.951 . . . . 0.0 112.257 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.53 -50.24 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.805 1.242 . . . . 0.0 109.651 170.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.71 -34.63 78.28 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.396 0.678 . . . . 0.0 110.847 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.13 -46.53 83.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.935 1.294 . . . . 0.0 111.555 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.35 62.83 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.77 -14.22 61.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.142 1.377 . . . . 0.0 112.978 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -59.59 -21.14 59.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.628 1.171 . . . . 0.0 113.753 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -89.93 -8.87 50.78 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.212 1.405 . . . . 0.0 114.542 170.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 38.9 mm -111.51 -30.43 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 C-N-CA 126.861 2.064 . . . . 0.0 112.097 -169.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.248 1.025 0 C-N-CA 126.81 2.044 . . . . 0.0 112.693 166.399 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.464 0.173 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -85.45 78.38 9.72 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.357 1.063 . . . . 0.0 111.001 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 127.59 32.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.421 1.489 . . . . 0.0 110.898 168.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.2 t -139.73 110.81 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.95 1.7 . . . . 0.0 109.697 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.2 t -112.49 120.5 41.84 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.961 2.105 . . . . 0.0 111.642 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.36 168.15 19.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.476 1.911 . . . . 0.0 112.339 -170.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -127.69 90.94 3.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.42 1.888 . . . . 0.0 110.623 -169.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -83.75 176.97 8.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.921 2.089 . . . . 0.0 111.882 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -133.0 168.63 18.14 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.725 0.81 . . . . 0.0 112.087 173.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -56.74 -43.07 80.35 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.95 1.3 . . . . 0.0 112.994 -159.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.2 -56.31 22.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.172 0.989 . . . . 0.0 111.934 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -59.37 -39.83 84.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.86 1.264 . . . . 0.0 111.539 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.48 -52.84 59.66 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.021 1.329 . . . . 0.0 111.199 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.03 -40.39 95.54 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.921 1.289 . . . . 0.0 112.387 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -41.56 91.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.335 0.654 . . . . 0.0 111.6 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.23 -31.96 62.8 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -65.08 -37.98 89.28 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -41.75 88.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.979 0.912 . . . . 0.0 111.37 175.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.1 mtm -72.22 -39.37 68.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.905 1.282 . . . . 0.0 112.536 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.51 66.44 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.724 1.21 . . . . 0.0 113.603 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.86 -28.1 65.78 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.799 1.181 . . . . 0.0 113.161 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.36 -28.43 64.05 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.836 1.254 . . . . 0.0 112.208 172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -90.48 3.63 53.38 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.156 1.783 . . . . 0.0 111.928 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . 0.252 0.4 OUTLIER 64.06 54.41 1.68 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.25 2.62 . . . . 0.0 113.422 -177.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 56.66 84.55 0.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.683 2.793 . . . . 0.0 113.945 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -140.72 37.6 1.82 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 127.297 2.239 . . . . 0.0 111.03 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -47.12 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 126.06 1.744 . . . . 0.0 114.644 -170.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.35 93.96 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.242 0.925 . . . . 0.0 113.08 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -75.96 -38.88 57.04 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.37 1.468 . . . . 0.0 112.116 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -61.64 -43.87 98.05 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.934 0.788 . . . . 0.0 110.95 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.6 mt -51.22 -54.69 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.683 1.193 . . . . 0.0 109.246 173.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.02 -57.05 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -51.74 -34.7 40.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.458 2.303 . . . . 0.0 113.817 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -64.08 -40.42 96.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.809 1.244 . . . . 0.0 112.535 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.81 -43.26 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.061 1.744 . . . . 0.0 110.276 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -66.87 -37.99 85.47 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.74 0.7 . . . . 0.0 110.983 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.54 -43.34 94.3 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.143 1.777 . . . . 0.0 111.393 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.4 75.93 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.545 0.738 . . . . 0.0 112.829 171.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.5 -27.32 69.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.918 1.687 . . . . 0.0 112.945 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -58.44 -27.52 64.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.791 1.236 . . . . 0.0 113.052 174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -154.95 67.57 0.68 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.598 1.959 . . . . 0.0 112.483 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.52 -49.3 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.685 1.194 . . . . 0.0 112.687 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.82 1.648 . . . . 0.0 112.921 177.776 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -85.03 163.89 18.58 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.989 0.916 . . . . 0.0 110.807 170.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.68 126.02 39.24 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.598 . . . . 0.0 110.492 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.57 90.74 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.437 1.895 . . . . 0.0 108.744 -177.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -111.59 116.77 31.38 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.313 1.045 . . . . 0.0 111.533 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.13 178.06 7.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.273 1.429 . . . . 0.0 113.096 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -137.23 92.97 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.984 -167.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -76.28 176.03 8.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.583 1.553 . . . . 0.0 111.368 166.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -127.42 173.67 9.63 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.816 0.846 . . . . 0.0 110.622 162.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.27 -28.62 69.85 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -159.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.44 -53.94 44.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 111.936 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.0 -46.47 85.19 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.841 1.256 . . . . 0.0 110.779 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.36 -39.23 93.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.571 0.748 . . . . 0.0 111.887 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -44.25 89.28 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.477 1.111 . . . . 0.0 111.806 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -60.72 -40.63 93.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.614 0.766 . . . . 0.0 112.525 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.6 -44.39 86.76 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.586 0.63 . . . . 0.0 111.768 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.74 -39.14 83.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -63.0 -36.05 82.26 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.024 1.329 . . . . 0.0 112.581 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.6 mtm -72.91 -47.86 42.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.557 1.143 . . . . 0.0 111.339 169.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.55 68.55 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 124.87 1.268 . . . . 0.0 113.242 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -57.37 -28.48 63.21 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.792 1.178 . . . . 0.0 113.139 172.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -70.33 -31.19 68.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.303 1.041 . . . . 0.0 112.36 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -88.75 1.68 54.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.987 2.115 . . . . 0.0 112.5 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 74.99 46.88 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.49 2.716 . . . . 0.0 113.278 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.67 85.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.83 3.252 . . . . 0.0 114.592 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 78.4 p -124.77 28.27 6.56 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.418 2.687 . . . . 0.0 112.361 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -44.8 -49.42 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 126.246 1.819 . . . . 0.0 115.227 -155.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.14 -42.16 98.44 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.109 0.868 . . . . 0.0 113.328 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 38.3 m -68.99 -36.96 78.43 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.445 -1.033 . . . . 0.0 111.764 171.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.6 -40.4 94.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.562 0.619 . . . . 0.0 112.195 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.77 -51.18 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.467 1.507 . . . . 0.0 109.246 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -57.75 -58.46 8.28 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.373 0.269 . . . . 0.0 110.898 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -49.42 -37.53 25.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.76 2.424 . . . . 0.0 113.156 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.91 -38.38 72.98 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.049 1.34 . . . . 0.0 113.073 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.1 mm -55.0 -50.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.365 1.466 . . . . 0.0 108.662 168.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.1 -36.23 77.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.067 0.547 . . . . 0.0 110.845 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.33 -39.52 93.33 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.276 1.83 . . . . 0.0 112.181 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.5 73.83 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.945 0.898 . . . . 0.0 112.803 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -66.49 -22.64 66.19 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.986 1.714 . . . . 0.0 113.733 -174.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -52.1 -35.08 46.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.414 1.086 . . . . 0.0 113.215 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -156.86 78.1 0.9 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 127.15 2.18 . . . . 0.0 110.695 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 mt -47.59 -49.08 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.968 1.707 . . . . 0.0 112.222 175.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 127.646 2.378 . . . . 0.0 112.098 177.659 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.41 0.148 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -104.06 93.83 5.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.231 1.412 . . . . 0.0 112.479 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.63 117.68 3.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.518 2.327 . . . . 0.0 111.553 160.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.4 t -141.12 99.2 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.604 1.562 . . . . 0.0 109.779 -174.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -114.29 118.98 35.44 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.899 1.28 . . . . 0.0 112.459 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -122.8 169.47 11.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.017 2.127 . . . . 0.0 111.949 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -128.81 80.45 1.97 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.068 1.747 . . . . 0.0 110.184 -165.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.05 168.65 19.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.213 1.805 . . . . 0.0 110.488 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -95.16 169.07 10.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.541 -0.725 . . . . 0.0 112.275 169.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -53.48 -41.67 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.247 0.619 . . . . 0.0 111.485 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.28 -55.25 34.02 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.511 1.125 . . . . 0.0 112.185 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -57.93 -41.57 83.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.056 0.142 . . . . 0.0 110.909 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.57 -47.12 82.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.108 0.963 . . . . 0.0 112.626 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -36.25 83.7 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.381 0.673 . . . . 0.0 112.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.96 -41.21 91.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.566 1.076 . . . . 0.0 111.855 169.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.53 -43.76 89.02 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.07 -43.65 87.06 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.257 0.935 . . . . 0.0 112.446 171.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.52 -26.78 66.5 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.301 -0.874 . . . . 0.0 112.806 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.71 -49.85 23.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 163.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' A' ' 56' ' ' SER . . . -58.61 -27.95 65.15 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.818 1.647 . . . . 0.0 113.993 -177.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.14 -26.14 64.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.484 1.038 . . . . 0.0 113.07 171.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.04 -29.89 68.12 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.179 -0.95 . . . . 0.0 112.663 172.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -93.24 1.95 56.83 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.693 1.997 . . . . 0.0 112.161 171.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 70.93 49.44 0.36 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.414 2.686 . . . . 0.0 112.977 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 64.42 104.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 130.175 3.39 . . . . 0.0 114.702 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.481 ' H ' ' HB3' ' A' ' 50' ' ' ALA . 61.8 p -148.09 24.47 1.04 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.265 2.226 . . . . 0.0 112.113 -171.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.02 122.32 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.247 1.019 . . . . 0.0 110.489 -171.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.71 -58.57 0.48 Allowed Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.123 1.344 . . . . 0.0 110.909 -171.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -64.12 -44.07 93.38 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.626 0.77 . . . . 0.0 110.949 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -55.37 -42.37 73.86 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.494 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.34 -53.1 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.874 1.27 . . . . 0.0 109.466 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -59.68 -50.36 74.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.915 0.388 . . . . 0.0 110.573 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -55.35 -36.82 66.73 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.759 1.623 . . . . 0.0 112.494 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -69.8 -43.72 71.49 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.411 1.084 . . . . 0.0 112.792 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.56 -41.97 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.824 1.249 . . . . 0.0 109.985 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.58 -38.3 77.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.498 1.119 . . . . 0.0 110.745 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -61.32 -43.35 99.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.555 1.542 . . . . 0.0 111.67 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.12 86.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.247 1.019 . . . . 0.0 112.643 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -29.03 69.99 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.22 1.408 . . . . 0.0 112.562 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -29.57 64.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.685 1.594 . . . . 0.0 114.162 171.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -158.3 58.37 0.46 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.148 1.779 . . . . 0.0 113.435 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.96 -50.91 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.099 0.96 . . . . 0.0 111.945 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.726 1.61 . . . . 0.0 113.332 175.353 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.592 0.234 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.93 173.59 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.578 1.551 . . . . 0.0 111.616 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.96 117.41 21.68 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.209 1.404 . . . . 0.0 111.234 -175.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 45.9 t -126.03 90.11 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.608 1.963 . . . . 0.0 109.093 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 17.5 t -109.57 126.35 53.5 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.64 0.776 . . . . 0.0 111.491 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -120.64 163.0 18.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.514 1.926 . . . . 0.0 111.372 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -127.02 81.05 1.99 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.747 2.019 . . . . 0.0 108.91 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.31 178.63 5.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.595 1.558 . . . . 0.0 111.549 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -138.49 -179.73 5.98 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.535 1.134 . . . . 0.0 110.836 168.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -52.52 -53.14 49.98 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.02 1.328 . . . . 0.0 113.168 -164.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.98 -51.95 67.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.412 1.085 . . . . 0.0 112.649 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -56.28 -48.41 76.67 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.536 1.534 . . . . 0.0 111.105 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -67.18 -40.18 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.683 0.793 . . . . 0.0 111.895 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.49 -45.08 85.0 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.504 1.122 . . . . 0.0 112.582 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -40.79 94.81 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.794 0.724 . . . . 0.0 111.799 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -39.52 86.57 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.95 -40.2 94.72 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.354 -0.842 . . . . 0.0 112.679 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.79 -38.13 84.29 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.373 1.069 . . . . 0.0 111.732 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mtm -66.77 -44.75 80.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.016 1.327 . . . . 0.0 112.289 168.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.442 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.84 -20.68 58.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.488 1.515 . . . . 0.0 114.579 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.66 -26.56 63.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.581 1.082 . . . . 0.0 113.396 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -70.75 -30.61 67.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.394 1.078 . . . . 0.0 112.474 172.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.3 2.73 46.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.826 1.65 . . . . 0.0 112.261 169.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 66.07 48.78 1.67 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.574 2.35 . . . . 0.0 112.296 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 62.38 99.34 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 129.207 3.003 . . . . 0.0 113.923 -172.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.442 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 3.1 t -146.02 39.84 1.13 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.1 1.36 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.45 116.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.778 1.231 . . . . 0.0 110.133 -173.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.81 -58.87 0.6 Allowed Glycine 0 N--CA 1.471 1.012 0 C-N-CA 125.227 1.394 . . . . 0.0 110.676 -170.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -63.13 -38.36 90.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.352 -1.087 . . . . 0.0 111.184 171.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -40.55 87.68 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.576 0.751 . . . . 0.0 112.841 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.72 -52.09 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.015 1.326 . . . . 0.0 110.144 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -58.03 10.08 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 110.423 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -55.92 -36.21 67.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.184 1.794 . . . . 0.0 112.105 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -63.49 -49.2 74.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.513 1.052 . . . . 0.0 111.968 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.2 mm -64.07 -43.79 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 126.149 1.78 . . . . 0.0 110.517 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.65 -32.66 70.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.085 0.954 . . . . 0.0 110.703 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -68.37 -46.96 68.64 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.507 1.523 . . . . 0.0 111.694 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.08 73.29 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.193 0.997 . . . . 0.0 112.391 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.55 -27.14 68.4 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.66 1.584 . . . . 0.0 113.184 -177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -59.2 -39.87 83.97 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.301 1.04 . . . . 0.0 112.63 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -146.5 78.11 1.5 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.595 1.958 . . . . 0.0 112.706 171.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.56 -36.01 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.041 0.536 . . . . 0.0 111.352 163.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 128.433 2.693 . . . . 0.0 111.222 169.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.745 0.307 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -116.81 105.81 12.79 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.828 1.651 . . . . 0.0 111.545 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 132.59 54.31 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.403 0.681 . . . . 0.0 111.216 170.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.4 95.24 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.718 2.007 . . . . 0.0 108.389 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -115.49 109.25 17.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.413 1.485 . . . . 0.0 110.573 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.6 163.17 23.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.585 1.154 . . . . 0.0 112.94 -164.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -126.76 79.04 1.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.796 1.638 . . . . 0.0 110.243 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -77.35 166.3 23.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.541 1.936 . . . . 0.0 111.374 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -122.51 172.34 8.44 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.293 0.637 . . . . 0.0 111.596 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -53.85 -54.12 42.99 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.757 1.223 . . . . 0.0 112.776 -160.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.28 -53.21 59.93 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.026 0.93 . . . . 0.0 112.745 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -58.49 -41.38 85.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.092 0.957 . . . . 0.0 111.0 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.53 -49.16 51.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.722 0.809 . . . . 0.0 112.437 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.847 1.259 . . . . 0.0 112.687 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.03 98.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.616 -0.677 . . . . 0.0 110.706 171.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.31 -33.17 75.13 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.0 -41.23 95.58 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.3 -0.875 . . . . 0.0 112.165 171.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -63.56 -36.56 84.18 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.051 0.94 . . . . 0.0 112.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.0 mtp -69.09 -47.14 65.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.875 1.67 . . . . 0.0 111.362 171.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HB3' ' H ' ' A' ' 56' ' ' SER . . . -61.67 -25.3 67.31 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 126.342 1.857 . . . . 0.0 113.8 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -58.1 -25.62 61.58 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.585 1.084 . . . . 0.0 112.877 170.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -75.1 -25.4 58.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.01 0.924 . . . . 0.0 113.438 172.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -87.09 1.03 54.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.206 1.802 . . . . 0.0 112.017 166.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 73.8 44.65 0.27 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.245 2.618 . . . . 0.0 112.473 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 59.3 91.4 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 129.747 3.219 . . . . 0.0 113.424 -175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' A' ' 50' ' ' ALA . 7.5 t -140.72 40.05 1.85 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.808 2.043 . . . . 0.0 110.005 -176.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.63 138.09 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.754 1.222 . . . . 0.0 111.439 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.48 -54.02 1.75 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 125.381 1.467 . . . . 0.0 110.637 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.6 t -62.9 -39.78 95.56 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.191 -1.182 . . . . 0.0 111.085 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.92 -38.6 70.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.329 1.052 . . . . 0.0 112.768 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -54.68 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 124.271 1.028 . . . . 0.0 109.679 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -63.69 -49.67 72.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.96 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -48.19 -43.21 31.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.196 1.398 . . . . 0.0 111.636 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -38.31 56.45 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.3 -42.81 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.403 1.081 . . . . 0.0 109.913 170.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -38.75 78.67 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 109.837 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.74 -39.79 92.81 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.315 1.446 . . . . 0.0 112.561 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.67 71.15 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.103 0.961 . . . . 0.0 111.152 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.62 -27.41 69.22 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.74 1.616 . . . . 0.0 113.653 -172.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -57.39 -33.98 68.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.322 1.049 . . . . 0.0 113.279 170.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -158.39 67.58 0.46 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.613 1.565 . . . . 0.0 112.94 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.07 -49.71 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.793 0.837 . . . . 0.0 112.229 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.981 1.712 . . . . 0.0 113.273 -176.738 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 121.366 0.603 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.19 166.17 13.09 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.402 1.881 . . . . 0.0 110.885 173.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.93 118.63 16.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.12 1.368 . . . . 0.0 110.784 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 t -133.59 90.09 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.239 1.416 . . . . 0.0 110.266 -165.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 26.4 t -101.09 118.76 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.993 1.717 . . . . 0.0 112.929 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -125.24 172.77 9.28 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.366 2.267 . . . . 0.0 112.284 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -130.85 90.53 2.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.082 2.153 . . . . 0.0 109.967 -177.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -77.55 174.25 11.09 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 126.486 1.914 . . . . 0.0 111.576 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.5 p -115.41 172.72 6.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.149 0.98 . . . . 0.0 113.622 168.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.53 -44.24 65.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.303 1.441 . . . . 0.0 111.81 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.86 -55.75 23.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.905 1.282 . . . . 0.0 112.082 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -56.9 -38.5 72.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.475 1.91 . . . . 0.0 112.161 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.61 -48.11 42.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.81 1.244 . . . . 0.0 111.601 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.44 -40.57 97.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.559 1.144 . . . . 0.0 112.93 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -57.74 -42.36 83.73 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.086 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.33 -23.95 37.46 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.85 -41.56 95.6 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.367 -0.833 . . . . 0.0 112.596 169.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.46 -40.1 81.74 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.764 1.226 . . . . 0.0 111.698 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 82.7 mtp -73.51 -40.18 64.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.025 1.73 . . . . 0.0 112.713 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.501 ' HB2' ' H ' ' B' ' 56' ' ' SER . . . -58.87 -27.36 65.1 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 113.175 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -58.2 -25.25 61.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.297 -0.877 . . . . 0.0 113.279 171.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.94 -25.26 61.81 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.217 1.007 . . . . 0.0 113.372 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.03 -3.11 51.93 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.603 1.561 . . . . 0.0 112.226 168.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 77.43 50.0 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.628 2.771 . . . . 0.0 112.212 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.9 100.59 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.927 3.291 . . . . 0.0 114.205 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' B' ' 50' ' ' ALA . 96.8 p -143.65 30.76 1.33 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.712 2.405 . . . . 0.0 110.769 -175.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.75 139.28 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.246 -0.909 . . . . 0.0 111.312 -175.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.75 -52.27 2.63 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.963 1.268 . . . . 0.0 110.983 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -64.53 -43.74 93.04 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.979 -0.719 . . . . 0.0 110.521 171.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -38.28 86.89 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.583 -0.698 . . . . 0.0 112.7 174.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.1 mt -57.23 -48.8 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 109.133 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -59.75 -52.88 63.59 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.006 0.522 . . . . 0.0 112.006 174.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -50.93 -44.46 60.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.963 1.705 . . . . 0.0 112.008 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -64.11 -44.21 92.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.298 1.047 . . . . 0.0 111.838 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.69 -51.83 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.84 1.656 . . . . 0.0 110.242 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.61 -19.48 60.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -72.71 -45.17 60.14 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 127.572 2.349 . . . . 0.0 111.582 168.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.8 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.103 0.961 . . . . 0.0 112.169 174.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.1 -39.43 66.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.773 2.029 . . . . 0.0 111.67 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -60.52 -18.98 55.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 114.168 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 -30.08 8.69 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.468 1.907 . . . . 0.0 113.288 173.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.98 -45.28 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.977 1.311 . . . . 0.0 111.159 175.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.428 1.891 . . . . 0.0 113.097 176.705 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 122.057 0.932 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -117.8 96.84 5.54 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.078 1.751 . . . . 0.0 110.768 174.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 129.35 41.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.396 1.078 . . . . 0.0 111.722 170.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -145.2 112.7 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.181 1.792 . . . . 0.0 109.221 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -122.53 140.82 52.34 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.836 1.255 . . . . 0.0 113.418 -168.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.93 164.12 27.65 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.033 -172.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -129.09 72.44 1.47 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.698 1.199 . . . . 0.0 110.546 -164.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -73.78 168.07 20.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.425 1.89 . . . . 0.0 112.95 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -95.15 163.97 13.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 123.494 0.718 . . . . 0.0 112.019 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.51 -49.25 46.64 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.407 0.683 . . . . 0.0 111.344 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.41 -60.0 4.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 113.347 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.98 -30.65 71.08 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -70.3 -50.29 40.85 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.935 -1.103 . . . . 0.0 113.017 172.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.02 -33.89 75.2 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.408 0.683 . . . . 0.0 112.325 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -34.47 72.24 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.098 1.359 . . . . 0.0 112.995 169.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -47.68 47.86 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.721 1.146 . . . . 0.0 112.458 164.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.99 -36.68 70.64 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.363 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.28 -39.07 89.16 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 0.0 111.99 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 ttp -72.5 -43.62 63.37 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.11 1.364 . . . . 0.0 112.246 176.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB2' ' H ' ' A' ' 56' ' ' SER . . . -59.42 -28.37 66.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.798 2.039 . . . . 0.0 114.186 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.96 -22.57 60.41 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -70.66 -31.87 68.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.729 1.212 . . . . 0.0 113.573 171.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.42 -0.91 57.7 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.228 2.211 . . . . 0.0 113.168 169.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 73.7 45.67 0.23 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.899 2.48 . . . . 0.0 112.857 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 65.27 102.78 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 129.371 3.068 . . . . 0.0 114.457 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.45 ' H ' ' HB2' ' A' ' 50' ' ' ALA . 92.9 p -143.47 36.94 1.34 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.421 2.288 . . . . 0.0 110.615 -177.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.43 126.59 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 120.77 -1.206 . . . . 0.0 111.678 -169.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.32 -44.0 2.33 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 125.759 1.647 . . . . 0.0 112.218 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.1 m -66.34 -33.33 75.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.204 -1.174 . . . . 0.0 111.903 168.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.6 -41.78 95.45 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.435 -0.791 . . . . 0.0 112.065 170.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -48.71 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.007 0.923 . . . . 0.0 109.508 173.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -63.73 -47.35 81.41 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -55.85 -40.31 72.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.348 1.059 . . . . 0.0 112.809 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -38.68 87.07 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.281 1.032 . . . . 0.0 112.385 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.4 mm -77.55 -35.22 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.572 1.149 . . . . 0.0 111.696 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -34.94 78.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 110.628 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.73 -45.33 86.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 112.204 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.71 87.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.894 0.878 . . . . 0.0 112.988 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.33 -16.3 63.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.798 1.639 . . . . 0.0 113.892 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -59.64 -28.97 67.7 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -159.79 48.02 0.28 Allowed 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -168.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.5 mm -49.71 -37.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 124.624 1.17 . . . . 0.0 113.486 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 N--CA 1.483 1.199 0 C-N-CA 128.603 2.761 . . . . 0.0 113.982 177.427 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 123.197 1.475 . . . . 0.0 114.35 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -86.09 101.4 12.92 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.736 -1.574 . . . . 0.0 111.38 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 122.58 14.78 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.125 0.97 . . . . 0.0 111.168 169.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.5 88.65 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.245 2.218 . . . . 0.0 108.515 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 18.3 t -101.45 135.75 42.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.111 0.964 . . . . 0.0 112.241 -177.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.1 mt -125.79 156.57 39.29 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.54 1.936 . . . . 0.0 110.141 -170.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.04 80.23 1.88 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.148 1.379 . . . . 0.0 110.035 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -70.39 176.96 3.63 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.876 1.27 . . . . 0.0 111.483 166.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -126.44 178.71 5.69 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.709 0.804 . . . . 0.0 110.063 156.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -45.73 -47.82 15.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.469 1.507 . . . . 0.0 114.481 -160.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.83 -55.64 27.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.028 0.931 . . . . 0.0 112.442 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.93 -36.26 82.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.634 1.174 . . . . 0.0 112.884 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -64.36 -47.42 79.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.35 1.06 . . . . 0.0 111.709 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.46 -35.97 81.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.314 1.045 . . . . 0.0 112.782 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -57.88 -43.49 86.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.094 1.357 . . . . 0.0 111.981 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.2 mt -75.53 -31.76 60.23 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.0 -38.62 91.55 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 170.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -37.48 87.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.296 1.038 . . . . 0.0 111.455 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.57 -48.07 76.37 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.796 1.238 . . . . 0.0 111.706 168.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -32.17 71.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.274 1.03 . . . . 0.0 113.426 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.25 -21.97 50.45 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.16 1.384 . . . . 0.0 113.522 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.49 -26.85 63.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.612 1.165 . . . . 0.0 113.456 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -99.61 -18.57 17.26 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.54 1.936 . . . . 0.0 112.996 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . 0.253 19.1 tt0 114.21 54.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 131.227 3.811 . . . . 0.0 112.25 168.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.267 9.0 pt-20 48.1 70.43 0.44 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.692 2.397 . . . . 0.0 114.328 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.3 t -132.52 49.16 2.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.581 1.952 . . . . 0.0 108.958 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.73 129.2 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.716 1.206 . . . . 0.0 111.864 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.75 -55.06 0.67 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 126.103 1.811 . . . . 0.0 110.318 -170.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.9 m -70.91 -42.58 69.74 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.477 -1.013 . . . . 0.0 112.773 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.46 -42.28 98.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.298 1.046 . . . . 0.0 111.717 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -57.49 -49.64 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 127.826 2.451 . . . . 0.0 110.171 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -60.19 -53.59 55.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.952 0.501 . . . . 0.0 111.209 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -50.18 -41.12 48.75 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.401 1.08 . . . . 0.0 112.416 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.14 -39.78 65.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.958 0.903 . . . . 0.0 113.347 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.61 -46.68 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.394 1.078 . . . . 0.0 109.796 170.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -32.76 70.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.398 0.679 . . . . 0.0 110.378 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.79 -42.04 99.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.555 1.142 . . . . 0.0 112.352 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.4 83.42 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 171.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -22.2 61.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.164 1.386 . . . . 0.0 113.392 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -58.82 -22.62 59.0 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 165.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -155.07 48.07 0.54 Allowed 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.98 -41.28 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.253 1.021 . . . . 0.0 112.513 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 126.589 1.955 . . . . 0.0 110.816 174.468 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.983 0.42 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -123.55 125.58 45.13 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.883 2.073 . . . . 0.0 111.863 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.27 125.19 28.72 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.285 1.034 . . . . 0.0 111.124 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.36 87.84 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.701 1.6 . . . . 0.0 109.043 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 t -110.41 119.63 39.83 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.88 1.272 . . . . 0.0 112.743 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -131.15 168.02 18.15 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.569 2.347 . . . . 0.0 111.663 -172.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -128.59 88.4 2.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.939 2.096 . . . . 0.0 110.049 -171.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -70.57 168.15 16.97 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.3 1.44 . . . . 0.0 111.973 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -106.96 160.94 15.16 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.523 0.729 . . . . 0.0 111.172 170.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -52.23 -48.59 65.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.176 0.99 . . . . 0.0 113.117 -170.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.51 -49.12 79.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.932 0.893 . . . . 0.0 112.298 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.02 -45.03 94.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.041 1.336 . . . . 0.0 110.876 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.79 -47.99 78.7 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.453 1.501 . . . . 0.0 111.71 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.32 -40.44 96.34 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.707 1.203 . . . . 0.0 112.264 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.17 -41.77 89.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.34 0.973 . . . . 0.0 112.01 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.24 -43.36 78.08 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.09 -39.0 88.29 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.566 -0.709 . . . . 0.0 112.73 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.76 -39.86 90.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.032 1.333 . . . . 0.0 111.72 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.2 mtm -71.22 -44.21 65.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.499 1.12 . . . . 0.0 112.111 172.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -30.39 68.88 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.898 1.279 . . . . 0.0 113.397 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.83 -28.11 61.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.092 0.86 . . . . 0.0 113.058 171.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.41 -26.69 61.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.412 1.085 . . . . 0.0 113.257 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -90.54 -0.65 57.75 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.162 1.785 . . . . 0.0 112.762 168.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 74.92 52.76 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 128.059 2.544 . . . . 0.0 112.448 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 59.08 84.07 0.12 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.215 3.006 . . . . 0.0 114.311 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.7 p -123.89 18.47 9.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.088 2.555 . . . . 0.0 113.442 -174.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 t -40.43 -55.0 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.767 . . . . 0.0 115.749 -152.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.39 94.81 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-N 119.059 0.845 . . . . 0.0 113.467 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.8 m -69.02 -38.31 79.13 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.238 -1.154 . . . . 0.0 111.585 170.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.23 -44.83 88.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 111.292 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.71 -61.59 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.856 1.662 . . . . 0.0 109.194 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -54.24 -50.81 66.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.801 0.84 . . . . 0.0 112.158 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.98 -37.34 74.05 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.717 0.807 . . . . 0.0 112.865 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.91 -43.81 82.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.681 1.128 . . . . 0.0 112.061 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -61.47 -40.81 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.876 1.67 . . . . 0.0 110.765 174.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -34.46 71.09 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.749 0.819 . . . . 0.0 111.062 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.97 -39.32 93.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.016 1.326 . . . . 0.0 111.91 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.86 84.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.401 0.68 . . . . 0.0 112.453 168.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.65 -34.11 75.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.97 1.308 . . . . 0.0 111.672 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -56.85 -21.52 29.78 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.985 1.714 . . . . 0.0 114.566 171.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -108.17 -29.45 8.92 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.229 1.812 . . . . 0.0 113.877 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.0 -43.72 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.663 1.185 . . . . 0.0 111.118 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.258 1.823 . . . . 0.0 113.112 176.393 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -83.98 167.37 16.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.901 1.68 . . . . 0.0 110.906 175.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.76 112.01 15.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.261 1.425 . . . . 0.0 111.027 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 90.15 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.329 1.852 . . . . 0.0 109.267 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -120.04 116.59 26.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.526 1.13 . . . . 0.0 112.438 -174.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -113.38 161.67 17.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.655 1.582 . . . . 0.0 111.178 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.0 80.22 1.42 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.87 1.668 . . . . 0.0 109.93 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -75.16 177.36 6.52 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.205 1.802 . . . . 0.0 110.639 174.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -137.45 179.5 6.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.171 -0.956 . . . . 0.0 110.938 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -46.89 -53.3 12.47 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.536 1.534 . . . . 0.0 114.059 -167.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.18 -58.6 6.49 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.786 1.175 . . . . 0.0 113.084 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -56.27 -42.48 77.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.958 1.703 . . . . 0.0 111.722 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.65 -40.85 61.2 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.429 1.092 . . . . 0.0 112.732 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -35.92 74.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.989 0.916 . . . . 0.0 111.78 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -62.42 -40.46 96.64 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.984 0.914 . . . . 0.0 111.97 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -43.45 95.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 167.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.43 -38.04 85.72 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.994 0.816 . . . . 0.0 112.854 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -61.77 -41.87 98.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.44 1.496 . . . . 0.0 111.592 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.3 mtp -68.43 -48.2 65.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.934 2.094 . . . . 0.0 111.084 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -61.0 -30.55 70.35 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.431 1.893 . . . . 0.0 114.175 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -58.18 -29.99 66.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.774 1.17 . . . . 0.0 112.852 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -77.97 -14.02 59.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.462 1.105 . . . . 0.0 113.072 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -102.75 4.35 37.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.838 2.055 . . . . 0.0 111.601 166.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 63.64 58.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.59 2.356 . . . . 0.0 112.31 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 62.97 94.72 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.09 2.556 . . . . 0.0 114.331 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.51 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 5.6 t -138.95 39.04 2.15 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.386 2.674 . . . . 0.0 109.921 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.91 130.63 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.487 -1.383 . . . . 0.0 111.227 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.07 -43.62 3.26 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 125.461 1.505 . . . . 0.0 111.384 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -62.08 -34.75 76.87 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.237 -1.155 . . . . 0.0 111.401 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.05 -40.55 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.781 1.232 . . . . 0.0 112.419 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.74 -49.49 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.556 1.542 . . . . 0.0 110.3 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -58.39 -57.75 11.53 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.147 0.979 . . . . 0.0 109.532 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.47 -43.16 7.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.864 2.065 . . . . 0.0 112.878 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -34.89 75.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.896 1.279 . . . . 0.0 113.954 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.05 -42.01 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 124.034 0.933 . . . . 0.0 110.101 168.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.73 -35.18 74.78 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.368 -0.833 . . . . 0.0 110.417 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.29 -47.53 85.61 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.335 2.254 . . . . 0.0 111.443 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.59 76.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.141 0.976 . . . . 0.0 113.212 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.55 -18.25 65.26 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.36 1.464 . . . . 0.0 113.707 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.65 -48.84 74.31 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.003 1.321 . . . . 0.0 112.127 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -144.09 81.79 1.69 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.281 2.232 . . . . 0.0 111.199 172.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 31.9 mt -55.0 -54.44 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.009 0.923 . . . . 0.0 111.239 172.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.984 1.714 . . . . 0.0 113.1 176.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.658 0 CA-C-O 122.273 1.035 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.68 139.52 50.11 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.203 1.001 . . . . 0.0 112.938 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.04 110.09 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.249 1.82 . . . . 0.0 109.752 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -114.84 123.62 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.861 1.664 . . . . 0.0 111.628 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -134.35 164.87 26.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.276 1.43 . . . . 0.0 113.079 -165.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -119.92 89.39 3.12 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.232 1.813 . . . . 0.0 110.613 -161.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.64 -177.72 4.01 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 128.923 2.889 . . . . 0.0 112.277 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -138.59 167.26 22.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.11 0.964 . . . . 0.0 112.712 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.89 -52.62 23.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.924 1.689 . . . . 0.0 113.686 -164.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -55.39 -53.21 59.11 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.802 1.241 . . . . 0.0 113.128 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.71 -37.51 79.08 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.138 0.975 . . . . 0.0 111.81 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -49.89 52.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.896 0.878 . . . . 0.0 112.591 173.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -33.56 75.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.844 1.258 . . . . 0.0 113.069 -175.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -62.62 -37.63 87.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.451 1.101 . . . . 0.0 112.145 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 HG12 ' A' ' 61' ' ' ILE . 1.2 mt -75.59 -34.58 60.64 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 172.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.0 -40.31 96.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.091 0.956 . . . . 0.0 113.089 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -64.51 -37.49 87.73 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.191 0.996 . . . . 0.0 111.958 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.9 mtm -67.87 -43.67 78.84 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.699 0.8 . . . . 0.0 111.714 170.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.99 -34.92 73.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -62.16 -23.64 66.71 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 173.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.92 -39.16 90.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 168.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.54 -4.93 51.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.634 1.974 . . . . 0.0 113.556 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 76.78 38.95 0.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.462 2.705 . . . . 0.0 113.109 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 78.91 111.09 0.07 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 129.829 3.252 . . . . 0.0 113.941 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.501 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 77.0 p -155.07 27.19 0.42 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.272 2.229 . . . . 0.0 111.242 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 t -54.87 131.12 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.785 1.234 . . . . 0.0 110.377 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -46.23 1.33 Allowed Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.669 1.128 . . . . 0.0 112.301 -171.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -78.68 -40.99 32.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.607 0.763 . . . . 0.0 112.207 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.08 -38.47 70.72 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 111.955 175.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 46' ' ' LEU . 5.0 mt -55.37 -56.56 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.645 1.578 . . . . 0.0 110.569 175.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -63.14 -44.89 94.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -55.61 -38.09 68.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.646 1.179 . . . . 0.0 112.335 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.18 -40.01 82.36 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 122.333 1.063 . . . . 0.0 112.917 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.1 mm -67.07 -40.34 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.161 1.385 . . . . 0.0 110.796 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -34.16 71.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.803 0.841 . . . . 0.0 111.065 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.44 -46.35 86.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.438 1.095 . . . . 0.0 111.415 170.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -31.54 72.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.925 0.89 . . . . 0.0 113.178 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.82 -22.84 66.58 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.549 1.54 . . . . 0.0 113.706 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.54 -25.04 67.83 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -157.78 50.1 0.42 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.287 1.035 . . . . 0.0 113.388 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.4 mt -48.24 -45.49 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.865 1.266 . . . . 0.0 113.579 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.855 1.662 . . . . 0.0 112.258 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.32 156.6 18.0 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.947 1.299 . . . . 0.0 112.55 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.92 111.37 15.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.527 1.131 . . . . 0.0 112.196 -157.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.63 92.74 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.221 1.808 . . . . 0.0 109.195 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -104.21 120.3 40.85 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.225 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mp -120.24 169.86 9.87 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.901 2.481 . . . . 0.0 110.675 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -140.67 77.34 1.6 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.643 1.977 . . . . 0.0 110.674 -173.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -74.47 178.45 5.27 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.21 1.404 . . . . 0.0 112.093 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -131.26 178.21 6.88 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.927 1.291 . . . . 0.0 110.733 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.09 -47.84 53.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.956 -169.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.19 -51.23 70.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.521 0.728 . . . . 0.0 112.468 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -59.05 -46.41 88.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.957 1.303 . . . . 0.0 111.344 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -69.57 -41.24 76.11 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.538 -0.726 . . . . 0.0 112.373 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.53 -34.76 70.32 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.507 -0.746 . . . . 0.0 112.67 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -65.9 -37.0 84.94 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.892 -1.13 . . . . 0.0 112.548 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.418 HD12 HG13 ' B' ' 61' ' ' ILE . 2.1 mm? -62.36 -44.33 96.73 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.595 -0.691 . . . . 0.0 112.639 165.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.59 -35.6 74.62 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.698 1.199 . . . . 0.0 113.516 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -63.74 -37.46 87.43 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.34 0.656 . . . . 0.0 112.514 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 72.8 mtm -74.76 -42.89 57.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.131 0.973 . . . . 0.0 112.153 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.13 84.28 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.675 0.79 . . . . 0.0 112.658 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.61 -29.05 69.8 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.846 -1.159 . . . . 0.0 113.586 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.29 -29.96 66.84 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.942 1.297 . . . . 0.0 112.763 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -82.21 -7.17 59.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.604 1.962 . . . . 0.0 113.013 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 85.05 38.52 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.341 3.056 . . . . 0.0 113.16 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 69.09 125.11 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.997 3.319 . . . . 0.0 114.053 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -171.06 17.52 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.87 . . . . 0.0 114.21 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.4 m -42.86 -48.65 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -161.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.38 -41.48 99.54 Favored Glycine 0 N--CA 1.476 1.313 0 CA-C-N 119.64 1.109 . . . . 0.0 113.104 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 72.6 m -70.27 -34.88 73.33 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.647 -0.914 . . . . 0.0 112.361 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -62.4 -40.91 98.03 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.404 1.002 . . . . 0.0 112.193 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.418 HG13 HD12 ' B' ' 46' ' ' LEU . 72.1 mt -59.19 -46.52 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.683 1.193 . . . . 0.0 109.776 176.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.27 -48.55 70.1 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.208 0.527 . . . . 0.0 112.398 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 49.1 ttt85 -51.6 -41.15 61.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.584 1.954 . . . . 0.0 112.627 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -38.95 69.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.987 0.915 . . . . 0.0 112.468 -177.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mm -61.56 -44.45 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.571 1.148 . . . . 0.0 110.535 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.69 -34.41 73.89 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.673 -0.642 . . . . 0.0 110.812 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -66.19 -40.97 90.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.439 1.096 . . . . 0.0 112.319 173.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.86 81.83 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.713 -0.617 . . . . 0.0 112.573 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -32.03 72.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.343 1.057 . . . . 0.0 112.287 -175.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -62.36 -21.72 65.54 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.911 1.284 . . . . 0.0 114.417 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.595 1.158 . . . . 0.0 112.448 171.669 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 121.19 0.519 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 135.26 46.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.684 1.594 . . . . 0.0 110.855 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.33 94.75 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 126.178 1.791 . . . . 0.0 108.148 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 t -113.24 112.84 24.42 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.962 1.705 . . . . 0.0 111.179 -170.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.51 170.61 15.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.408 1.083 . . . . 0.0 112.979 -162.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -125.59 86.5 2.55 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.267 1.827 . . . . 0.0 109.563 -167.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -81.7 168.11 18.44 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 110.76 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.0 m -107.07 165.21 11.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.615 0.766 . . . . 0.0 111.619 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -54.35 -45.78 72.8 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.76 -51.4 67.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.13 -42.95 91.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.486 1.114 . . . . 0.0 111.226 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -66.5 -45.09 80.75 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.519 0.728 . . . . 0.0 112.704 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -59.14 -41.4 88.22 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.124 0.969 . . . . 0.0 112.155 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.43 -42.82 92.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.728 1.211 . . . . 0.0 111.975 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.499 HD11 HG13 ' A' ' 61' ' ' ILE . 1.2 mm? -63.86 -45.04 91.25 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 172.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.35 -38.61 87.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.732 0.813 . . . . 0.0 112.902 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.03 -41.2 96.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.363 1.065 . . . . 0.0 111.086 176.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.05 -42.41 66.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 112.405 172.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.01 68.5 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.297 1.439 . . . . 0.0 112.998 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.444 1.02 . . . . 0.0 113.134 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -76.87 -16.67 59.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.906 1.283 . . . . 0.0 113.021 174.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -98.5 1.87 47.06 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.647 1.979 . . . . 0.0 111.932 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 70.32 59.67 0.24 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.658 2.383 . . . . 0.0 112.345 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.286 10.0 pt-20 48.12 83.74 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.383 3.073 . . . . 0.0 115.175 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -141.8 59.83 1.48 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.845 1.658 . . . . 0.0 108.63 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.34 138.66 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.171 -0.956 . . . . 0.0 110.922 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.73 -45.34 2.72 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.457 1.503 . . . . 0.0 111.505 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 m -62.09 -40.47 95.94 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.479 -1.012 . . . . 0.0 111.286 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -59.29 -43.47 92.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.89 0.876 . . . . 0.0 112.143 172.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.499 HG13 HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.6 -51.32 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 124.749 1.22 . . . . 0.0 109.57 172.696 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.33 -48.74 78.52 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.341 0.656 . . . . 0.0 109.964 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -56.76 -38.2 72.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.996 0.918 . . . . 0.0 113.321 174.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -40.91 91.32 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.773 1.17 . . . . 0.0 112.154 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.33 -43.47 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.692 1.597 . . . . 0.0 110.178 174.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.42 -34.82 72.94 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 111.26 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -59.11 -49.07 79.28 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.017 1.727 . . . . 0.0 110.734 169.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.654 1.182 . . . . 0.0 113.774 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -29.86 70.4 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.47 1.508 . . . . 0.0 112.886 -173.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -65.8 -23.53 66.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.344 1.857 . . . . 0.0 113.694 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -145.36 30.86 1.11 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.689 1.596 . . . . 0.0 114.834 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.8 mt -49.61 -41.59 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.055 0.942 . . . . 0.0 112.261 172.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.7 2.0 . . . . 0.0 112.794 177.241 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -85.72 168.03 14.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 111.716 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.91 118.83 22.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.285 1.834 . . . . 0.0 109.681 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 t -130.32 95.73 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.168 1.787 . . . . 0.0 108.845 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -108.11 116.61 32.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.502 1.521 . . . . 0.0 112.731 -177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.26 157.14 18.15 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.901 1.68 . . . . 0.0 110.344 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -129.71 88.52 2.69 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.329 1.452 . . . . 0.0 111.168 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.444 ' CZ ' HD11 ' B' ' 61' ' ' ILE . 75.5 m-85 -84.32 166.74 17.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.757 1.623 . . . . 0.0 112.467 174.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 72.1 p -132.74 87.4 2.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 122.146 0.974 . . . . 0.0 112.483 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 58.04 -77.67 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.379 2.672 . . . . 0.0 113.675 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -51.88 62.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.822 1.649 . . . . 0.0 112.612 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -57.68 -43.6 85.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.664 1.185 . . . . 0.0 112.201 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -65.71 -41.08 92.75 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.84 0.745 . . . . 0.0 112.573 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -37.42 85.69 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.683 0.793 . . . . 0.0 112.393 177.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -60.46 -43.91 96.42 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.126 0.875 . . . . 0.0 111.019 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 -43.45 91.21 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.58 -38.05 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -67.46 -37.66 83.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.658 1.183 . . . . 0.0 112.348 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 45.0 mtp -64.98 -52.21 57.49 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.164 1.786 . . . . 0.0 110.196 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.536 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -57.75 -35.8 71.22 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.96 1.704 . . . . 0.0 114.077 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.68 -26.12 66.87 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.033 0.833 . . . . 0.0 112.993 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -72.72 -27.6 62.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.095 0.958 . . . . 0.0 113.242 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.64 -0.91 57.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.753 1.221 . . . . 0.0 112.726 166.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.9 53.42 0.14 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 128.488 2.715 . . . . 0.0 112.41 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 73.15 102.14 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 129.024 2.93 . . . . 0.0 114.066 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.536 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 30.6 p -152.99 30.29 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.894 2.877 . . . . 0.0 110.893 -169.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.77 118.41 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 120.387 -1.445 . . . . 0.0 111.401 -167.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.81 -47.22 1.32 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.587 1.565 . . . . 0.0 111.498 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -59.16 -35.62 73.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.066 -1.255 . . . . 0.0 111.637 169.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.1 -37.19 86.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.856 0.862 . . . . 0.0 112.886 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.444 HD11 ' CZ ' ' B' ' 38' ' ' PHE . 0.1 OUTLIER -57.54 -49.68 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.124 0.97 . . . . 0.0 109.558 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -60.16 -50.35 74.03 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 123.299 0.64 . . . . 0.0 110.473 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -48.24 -47.65 35.72 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -43.47 77.05 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.129 1.372 . . . . 0.0 112.798 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 19.2 mm -66.0 -39.47 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 125.049 1.34 . . . . 0.0 110.193 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.62 -27.53 51.17 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.385 1.074 . . . . 0.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -63.02 -45.77 90.75 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.941 1.696 . . . . 0.0 111.523 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.12 85.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.672 0.789 . . . . 0.0 112.697 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -30.01 71.12 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.259 1.424 . . . . 0.0 113.068 -173.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.39 -24.8 65.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.774 1.23 . . . . 0.0 113.819 173.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 125.201 1.401 . . . . 0.0 113.539 170.007 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.495 0.188 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 137.69 58.26 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.554 1.142 . . . . 0.0 112.231 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' B' ' 38' ' ' PHE . 22.1 t -130.91 86.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.424 1.89 . . . . 0.0 108.991 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -106.25 106.29 16.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.475 1.11 . . . . 0.0 111.406 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -132.17 165.26 24.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.807 1.643 . . . . 0.0 112.75 -168.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -135.81 84.08 2.06 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.0 1.72 . . . . 0.0 109.716 -164.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -76.89 172.83 12.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.01 1.724 . . . . 0.0 110.944 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -108.3 160.79 15.58 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.625 0.77 . . . . 0.0 111.282 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.61 -50.54 62.86 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 123.262 0.625 . . . . 0.0 112.376 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.42 -49.29 77.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.021 0.828 . . . . 0.0 112.373 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -57.6 -47.03 83.29 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.65 1.18 . . . . 0.0 111.397 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -68.36 -48.53 64.56 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.659 0.783 . . . . 0.0 111.884 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -38.0 84.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.638 1.175 . . . . 0.0 112.129 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -44.35 85.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.102 0.864 . . . . 0.0 111.532 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.36 -37.75 74.65 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.74 -41.78 98.1 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.342 1.057 . . . . 0.0 112.428 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.16 -36.7 82.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.573 1.149 . . . . 0.0 112.207 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.5 mtm -72.47 -41.61 65.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.704 1.201 . . . . 0.0 112.128 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.38 66.74 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.683 1.193 . . . . 0.0 113.584 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -56.67 -26.52 56.55 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.591 1.087 . . . . 0.0 113.251 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.26 -31.04 67.04 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.006 0.922 . . . . 0.0 112.962 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.62 2.47 53.08 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.205 2.202 . . . . 0.0 112.863 169.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 72.87 46.72 0.24 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.048 2.539 . . . . 0.0 113.074 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 55.19 83.31 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.777 3.231 . . . . 0.0 115.041 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 t -136.91 62.97 1.58 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.24 1.816 . . . . 0.0 109.65 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.83 -41.87 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.884 1.273 . . . . 0.0 112.806 -165.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.96 99.71 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.3 0.952 . . . . 0.0 112.644 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -68.37 -40.24 81.52 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.597 -0.943 . . . . 0.0 111.327 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.511 0.724 . . . . 0.0 111.724 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -51.64 -60.69 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.817 1.247 . . . . 0.0 109.039 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -62.29 -45.03 95.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.52 0.2 . . . . 0.0 111.092 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -50.12 -43.29 51.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.732 2.013 . . . . 0.0 111.221 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -36.34 71.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.412 1.006 . . . . 0.0 113.413 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.98 -48.54 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.735 1.614 . . . . 0.0 109.6 169.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -37.67 81.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.955 1.302 . . . . 0.0 110.949 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.86 -47.2 86.12 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.674 1.99 . . . . 0.0 111.226 173.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.23 80.3 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 112.627 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -24.13 65.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.509 1.923 . . . . 0.0 113.673 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -57.72 -34.02 69.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.043 0.937 . . . . 0.0 113.196 173.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -153.74 56.47 0.74 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.158 1.383 . . . . 0.0 112.624 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.72 -55.19 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.434 1.494 . . . . 0.0 113.336 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.943 1.697 . . . . 0.0 113.096 -174.644 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.84 171.4 15.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.049 1.74 . . . . 0.0 111.393 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.89 119.08 21.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.57 1.548 . . . . 0.0 110.556 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.28 100.52 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 126.815 2.046 . . . . 0.0 107.884 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -121.85 98.89 6.16 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.839 1.655 . . . . 0.0 111.012 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -120.34 175.73 5.82 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.251 1.821 . . . . 0.0 113.538 -173.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.58 91.38 2.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.988 2.515 . . . . 0.0 109.17 -164.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.409 ' CD2' HG21 ' A' ' 34' ' ' VAL . 15.2 m-85 -78.79 170.19 17.06 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.664 0.786 . . . . 0.0 111.141 174.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -108.26 168.13 9.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.856 0.862 . . . . 0.0 111.819 162.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.57 -46.87 67.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.412 1.085 . . . . 0.0 112.68 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.82 -54.45 45.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.326 1.05 . . . . 0.0 112.041 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -53.51 -45.83 69.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.073 1.749 . . . . 0.0 111.705 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -70.08 -42.37 72.85 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.342 0.657 . . . . 0.0 112.116 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -64.46 -38.1 89.83 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.507 1.123 . . . . 0.0 112.489 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -50.46 73.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.641 1.176 . . . . 0.0 110.332 171.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.75 -29.2 66.51 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.37 -41.42 89.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.257 1.023 . . . . 0.0 112.841 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -63.34 -36.28 83.17 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.635 0.774 . . . . 0.0 111.956 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 77.9 mtp -67.72 -46.47 72.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.566 1.546 . . . . 0.0 111.567 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.24 -26.55 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.252 1.421 . . . . 0.0 113.943 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.98 -27.09 65.05 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.248 1.385 . . . . 0.0 113.086 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.35 -29.12 63.5 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.272 1.029 . . . . 0.0 112.562 172.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -89.21 7.33 35.89 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.725 2.01 . . . . 0.0 112.182 168.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.55 45.19 1.14 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.739 2.416 . . . . 0.0 113.787 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 57.51 80.7 0.16 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.83 3.252 . . . . 0.0 113.601 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -136.9 43.75 2.37 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.616 1.966 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -43.58 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.435 1.894 . . . . 0.0 114.725 -168.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.18 88.07 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 124.23 0.919 . . . . 0.0 112.438 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -68.0 -44.79 75.77 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 123.567 0.747 . . . . 0.0 111.399 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.34 89.02 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.371 0.987 . . . . 0.0 112.229 -178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 32.3 mt -57.17 -45.39 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.937 1.295 . . . . 0.0 110.191 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.48 -62.16 1.94 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.652 0.381 . . . . 0.0 110.204 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -53.92 -29.46 42.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.999 2.12 . . . . 0.0 114.145 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.72 -38.94 93.01 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.258 1.39 . . . . 0.0 112.654 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.5 mt -71.76 -41.72 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 126.49 1.916 . . . . 0.0 110.978 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 mt -64.84 -36.45 84.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.278 0.944 . . . . 0.0 110.933 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.95 -44.44 94.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.188 2.195 . . . . 0.0 111.709 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.28 92.74 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.767 0.827 . . . . 0.0 112.613 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -24.89 68.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.828 1.651 . . . . 0.0 113.303 -176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -53.62 -39.38 64.88 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.32 1.048 . . . . 0.0 112.266 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 126.127 1.771 . . . . 0.0 111.372 178.449 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 121.171 0.51 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 118.93 7.35 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.662 1.585 . . . . 0.0 112.079 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -130.96 94.9 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.076 1.75 . . . . 0.0 108.981 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -108.6 124.84 51.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.855 1.662 . . . . 0.0 112.707 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -124.19 171.54 9.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.775 2.03 . . . . 0.0 111.988 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -129.88 80.94 1.99 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.489 1.915 . . . . 0.0 109.212 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -75.03 161.87 29.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.17 1.788 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.51 161.07 15.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.718 -0.614 . . . . 0.0 110.943 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -54.56 -40.07 68.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.618 0.367 . . . . 0.0 111.822 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.75 -53.43 58.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.878 1.271 . . . . 0.0 112.103 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.2 -43.92 87.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.229 1.412 . . . . 0.0 111.487 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.5 -51.46 69.36 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.468 1.507 . . . . 0.0 111.338 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.77 -41.22 97.41 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.244 1.418 . . . . 0.0 112.76 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -60.14 -42.39 94.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.769 0.827 . . . . 0.0 111.129 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -67.35 -35.38 79.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 174.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.23 -42.08 96.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.503 -0.748 . . . . 0.0 112.611 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -65.2 -32.21 73.77 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.161 -0.962 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.0 mtm -70.62 -44.95 66.17 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.572 1.549 . . . . 0.0 112.483 167.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.532 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -57.05 -28.58 62.67 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.028 1.331 . . . . 0.0 113.8 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -57.7 -27.29 62.79 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.853 0.861 . . . . 0.0 113.097 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.64 -29.55 65.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.794 1.238 . . . . 0.0 112.997 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -93.55 3.6 55.28 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.027 1.731 . . . . 0.0 112.596 169.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 70.17 53.98 0.34 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.198 2.599 . . . . 0.0 112.526 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 62.23 95.45 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.102 2.961 . . . . 0.0 113.941 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.532 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 t -149.41 39.07 0.8 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.401 1.48 . . . . 0.0 110.574 -177.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -53.9 128.79 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.461 0.705 . . . . 0.0 109.92 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . 110.5 -54.01 0.56 Allowed Glycine 0 N--CA 1.473 1.113 0 C-N-CA 124.603 1.097 . . . . 0.0 111.394 -170.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -71.45 -38.98 71.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.454 0.702 . . . . 0.0 111.643 171.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.02 -39.14 88.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.41 0.684 . . . . 0.0 112.446 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.474 ' CG1' HD13 ' A' ' 46' ' ' LEU . 22.3 mt -54.15 -55.89 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.169 1.387 . . . . 0.0 109.615 171.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -55.3 -56.12 23.64 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 124.419 1.088 . . . . 0.0 110.071 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.91 -45.41 30.73 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.24 1.816 . . . . 0.0 111.865 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.79 -44.92 79.99 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.801 0.81 . . . . 0.0 112.639 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.2 -43.25 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.033 1.733 . . . . 0.0 110.351 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -32.91 68.71 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 110.593 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.42 -46.44 83.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.708 1.603 . . . . 0.0 111.901 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.14 93.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.681 0.793 . . . . 0.0 112.363 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.92 -14.59 63.08 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.25 1.82 . . . . 0.0 113.963 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.82 -37.4 71.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.464 1.106 . . . . 0.0 112.397 164.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -160.13 70.25 0.43 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.724 2.009 . . . . 0.0 112.783 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mm -54.86 -36.58 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.394 1.078 . . . . 0.0 112.202 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 128.599 2.759 . . . . 0.0 114.945 175.815 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -93.68 99.03 11.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.608 1.563 . . . . 0.0 112.33 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.36 122.48 14.66 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.979 1.712 . . . . 0.0 110.969 166.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.57 95.76 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 127.657 2.383 . . . . 0.0 109.059 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.8 t -115.8 136.91 52.6 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.882 1.273 . . . . 0.0 112.741 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.93 162.66 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 111.492 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -124.21 91.35 3.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.484 1.914 . . . . 0.0 109.777 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' B' ' 61' ' ' ILE . 78.0 m-85 -79.52 175.74 10.33 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.343 1.457 . . . . 0.0 112.498 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -110.61 171.75 7.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.357 1.063 . . . . 0.0 111.408 168.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -58.26 -35.99 72.59 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.68 -59.29 5.63 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.216 . . . . 0.0 112.238 174.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.04 -50.12 20.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.373 2.269 . . . . 0.0 112.069 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -65.6 -44.29 87.03 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.399 1.08 . . . . 0.0 112.528 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.63 -33.97 71.58 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.69 -0.631 . . . . 0.0 112.481 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.08 -43.92 97.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.138 0.881 . . . . 0.0 111.198 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.93 -43.74 94.75 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.38 -41.51 89.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -68.31 -32.0 71.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.292 1.037 . . . . 0.0 113.077 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 34.7 mtp -72.07 -46.26 57.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.065 1.746 . . . . 0.0 111.192 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.23 -20.06 63.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.873 1.669 . . . . 0.0 114.017 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.18 -28.18 51.08 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.82 1.191 . . . . 0.0 113.0 167.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.99 -31.69 68.3 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.082 0.953 . . . . 0.0 112.608 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -86.12 2.72 45.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.934 2.094 . . . . 0.0 112.941 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 70.08 43.96 0.83 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.732 2.413 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 54.4 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.459 3.504 . . . . 0.0 116.039 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.39 -46.58 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.133 1.373 . . . . 0.0 111.603 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 t 71.68 140.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 129.243 3.017 . . . . 0.0 113.137 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.51 -42.81 3.14 Favored Glycine 0 N--CA 1.471 0.992 0 C-N-CA 126.151 1.834 . . . . 0.0 111.501 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -59.13 -37.01 76.23 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.822 1.249 . . . . 0.0 112.015 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.86 -41.35 97.74 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.131 0.972 . . . . 0.0 112.223 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -56.65 -49.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.298 1.439 . . . . 0.0 109.709 175.457 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -60.63 -54.46 45.11 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 123.015 0.526 . . . . 0.0 109.944 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -53.18 -39.77 63.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.293 1.037 . . . . 0.0 112.648 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.61 -46.62 75.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.014 1.326 . . . . 0.0 112.757 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.8 mm -62.37 -44.68 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 125.768 1.627 . . . . 0.0 109.531 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mp -68.6 -36.74 79.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.434 1.094 . . . . 0.0 110.664 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.78 -45.56 92.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.654 1.582 . . . . 0.0 111.749 172.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.8 91.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.688 0.795 . . . . 0.0 112.538 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -29.52 67.51 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.288 1.835 . . . . 0.0 113.044 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -54.56 -35.02 62.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.979 1.711 . . . . 0.0 112.962 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.7 pttt . . . . . 0 N--CA 1.475 0.778 0 C-N-CA 126.221 1.808 . . . . 0.0 113.371 -175.215 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 . . . . . 0 CA--C 1.54 0.586 0 CA-C-O 121.409 0.624 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 128.68 37.76 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 111.121 166.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.8 t -145.97 118.59 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.618 1.567 . . . . 0.0 110.077 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 t -123.48 128.66 50.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.51 1.924 . . . . 0.0 112.611 -170.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -130.59 166.94 19.56 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.999 1.719 . . . . 0.0 112.867 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -118.48 84.35 2.17 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 127.026 2.13 . . . . 0.0 110.44 -170.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -77.59 -179.4 5.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.812 2.045 . . . . 0.0 112.235 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 t -134.9 166.12 23.73 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.834 0.854 . . . . 0.0 112.395 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.69 -51.52 37.74 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.873 1.669 . . . . 0.0 112.759 -164.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.07 -52.46 64.19 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.171 1.388 . . . . 0.0 113.231 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -61.22 -40.46 94.09 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.207 1.003 . . . . 0.0 111.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -69.3 -50.11 49.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.586 0.708 . . . . 0.0 112.315 177.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -37.8 87.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.243 -176.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -67.25 -38.94 86.0 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.243 -0.911 . . . . 0.0 112.207 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.18 -28.97 64.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.36 -44.57 82.84 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.386 1.075 . . . . 0.0 113.003 166.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -63.79 -34.68 78.44 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.434 -0.791 . . . . 0.0 112.41 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.1 mtp -68.26 -38.42 81.73 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.759 1.224 . . . . 0.0 112.16 171.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.53 -20.61 64.81 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -58.28 -22.72 53.74 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 119.912 1.233 . . . . 0.0 113.712 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -66.74 -32.82 74.36 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.374 1.47 . . . . 0.0 112.846 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -94.97 5.14 52.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.715 2.406 . . . . 0.0 113.17 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 65.82 47.12 2.14 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.123 2.169 . . . . 0.0 113.1 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 60.1 98.19 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.761 3.225 . . . . 0.0 114.383 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.503 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 73.2 m -138.76 38.48 2.19 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.581 2.352 . . . . 0.0 109.585 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.64 113.83 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.24 1.416 . . . . 0.0 109.732 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.97 -58.15 0.65 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 125.582 1.563 . . . . 0.0 111.035 -171.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m -65.06 -38.18 89.97 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.96 -0.73 . . . . 0.0 112.134 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -42.38 98.74 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.46 -0.775 . . . . 0.0 111.47 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.1 mt -57.36 -47.59 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.866 0.866 . . . . 0.0 110.504 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -59.98 -52.5 65.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.945 0.498 . . . . 0.0 110.976 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.28 -27.51 65.89 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.12 -33.03 74.86 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.53 -1.356 . . . . 0.0 113.118 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.3 mm -67.44 -41.77 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.145 1.378 . . . . 0.0 110.784 167.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.03 -34.6 73.46 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.502 -0.749 . . . . 0.0 111.164 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.11 -34.01 75.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.683 1.993 . . . . 0.0 112.547 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.63 -33.14 35.98 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 171.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -18.74 65.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.614 -168.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -55.1 -21.77 14.09 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -97.97 -2.61 40.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.807 1.243 . . . . 0.0 114.238 173.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -116.55 -23.13 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 126.882 2.073 . . . . 0.0 112.929 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.293 2.237 . . . . 0.0 113.021 170.179 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.47 171.26 8.67 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.876 1.271 . . . . 0.0 111.313 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.34 132.01 35.04 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.539 1.136 . . . . 0.0 111.789 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -136.48 95.04 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.548 1.939 . . . . 0.0 109.385 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.8 t -106.64 127.17 53.13 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.212 1.005 . . . . 0.0 111.236 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.56 165.79 24.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.933 1.693 . . . . 0.0 110.995 -169.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -131.5 75.36 1.65 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.303 1.441 . . . . 0.0 111.347 -174.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.78 176.54 0.52 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.841 1.256 . . . . 0.0 112.643 168.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.8 p -128.36 169.49 14.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.517 1.127 . . . . 0.0 111.533 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.76 -40.56 63.25 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -166.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.61 -55.83 26.42 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.066 1.346 . . . . 0.0 113.063 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -57.85 -40.28 79.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.712 1.205 . . . . 0.0 112.048 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -67.51 -44.08 79.31 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.411 1.085 . . . . 0.0 112.168 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -66.16 -40.77 90.79 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.954 0.902 . . . . 0.0 112.871 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -36.79 75.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.918 0.887 . . . . 0.0 112.207 173.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.533 HD13 ' CG1' ' B' ' 61' ' ' ILE . 0.4 OUTLIER -77.42 -39.32 47.33 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.9 -39.11 84.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.917 1.287 . . . . 0.0 112.825 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.89 -39.44 89.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.605 1.162 . . . . 0.0 111.705 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -39.72 83.43 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.438 1.095 . . . . 0.0 112.585 173.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.51 -21.55 64.32 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.99 -24.76 55.93 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 121.147 -0.971 . . . . 0.0 113.559 168.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.04 -15.76 61.07 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.446 1.898 . . . . 0.0 113.634 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.03 9.65 11.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.578 2.351 . . . . 0.0 111.677 174.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.19 62.93 0.68 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.392 2.277 . . . . 0.0 113.214 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.26 9.5 pt-20 47.64 81.66 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.309 2.644 . . . . 0.0 115.189 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -137.62 46.0 2.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.293 1.837 . . . . 0.0 109.908 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.71 112.28 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.548 1.139 . . . . 0.0 110.426 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.27 -54.85 0.74 Allowed Glycine 0 N--CA 1.477 1.379 0 C-N-CA 125.188 1.375 . . . . 0.0 111.755 -171.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.4 m -62.39 -37.75 86.96 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.053 -1.263 . . . . 0.0 111.205 167.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.53 -40.74 95.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.533 ' CG1' HD13 ' B' ' 46' ' ' LEU . 15.6 mt -56.16 -53.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.761 1.224 . . . . 0.0 109.734 174.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -61.9 -50.28 72.84 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.868 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -56.65 -37.66 71.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.53 0.732 . . . . 0.0 112.028 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -44.62 66.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.23 0.923 . . . . 0.0 112.689 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.29 -45.31 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.066 1.346 . . . . 0.0 109.309 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -33.2 65.86 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.348 1.059 . . . . 0.0 110.744 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.94 -40.27 87.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.096 0.958 . . . . 0.0 112.466 171.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.45 86.69 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.553 -0.717 . . . . 0.0 112.397 171.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -21.58 65.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.931 1.692 . . . . 0.0 114.013 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -60.13 -26.35 66.19 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 76.9 tttt . . . . . 0 CA--C 1.552 1.056 0 C-N-CA 124.41 1.084 . . . . 0.0 113.105 177.779 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 122.032 0.92 . . . . 0.0 111.744 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.84 106.83 8.7 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.548 1.939 . . . . 0.0 109.752 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.93 78.63 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.763 1.225 . . . . 0.0 109.545 -157.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -108.22 121.54 45.08 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.039 1.335 . . . . 0.0 112.339 -164.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.87 166.25 23.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.807 2.043 . . . . 0.0 112.152 -174.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -128.66 89.09 2.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.982 2.113 . . . . 0.0 110.137 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.32 174.73 10.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.257 1.423 . . . . 0.0 111.879 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -120.21 157.84 28.24 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.128 0.971 . . . . 0.0 110.878 172.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.94 -43.95 70.24 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 123.819 0.847 . . . . 0.0 113.074 -168.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.32 -53.76 54.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.146 0.885 . . . . 0.0 112.544 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -60.81 -39.33 88.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.973 0.909 . . . . 0.0 112.137 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -66.96 -53.34 32.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.452 0.701 . . . . 0.0 111.884 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -40.29 88.13 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 111.826 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -59.34 -39.91 84.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.113 0.87 . . . . 0.0 112.479 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.7 mt -74.63 -30.32 61.6 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.346 0.975 . . . . 0.0 113.489 175.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.1 -44.64 91.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.428 -0.795 . . . . 0.0 112.266 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -62.97 -35.63 80.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.367 1.467 . . . . 0.0 112.002 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mmm -66.91 -49.38 65.75 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.845 2.058 . . . . 0.0 111.621 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.39 66.26 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -57.48 -24.83 58.06 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.572 1.078 . . . . 0.0 112.912 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.81 -35.59 74.95 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.16 0.984 . . . . 0.0 112.935 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 1.48 33.13 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.321 1.848 . . . . 0.0 112.706 168.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 76.48 40.54 0.22 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.48 2.712 . . . . 0.0 113.085 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.66 100.14 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 129.493 3.117 . . . . 0.0 113.951 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.2 p -147.37 37.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.008 2.123 . . . . 0.0 112.168 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -48.57 -47.26 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 125.106 1.362 . . . . 0.0 114.529 -160.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.2 -41.22 99.42 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.624 0.63 . . . . 0.0 113.098 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 m -69.44 -39.29 77.91 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.539 -0.977 . . . . 0.0 111.324 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.88 -42.64 89.98 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.761 0.824 . . . . 0.0 111.515 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.4 -59.35 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.437 1.095 . . . . 0.0 109.167 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.92 -42.75 99.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -55.2 -42.32 73.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.773 2.029 . . . . 0.0 112.275 174.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -40.35 82.53 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.363 0.983 . . . . 0.0 111.815 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.637 HD11 HD11 ' B' ' 65' ' ' ILE . 64.7 mt -62.6 -44.8 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.847 1.659 . . . . 0.0 110.15 173.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.58 -37.34 79.77 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.905 0.882 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.05 -41.87 99.58 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.525 1.53 . . . . 0.0 112.133 173.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.43 92.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.798 0.839 . . . . 0.0 111.612 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.0 -32.82 73.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.662 1.185 . . . . 0.0 112.25 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -18.29 8.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.102 2.161 . . . . 0.0 115.024 169.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -115.07 -31.53 6.01 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.013 2.125 . . . . 0.0 113.354 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.4 -47.36 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.054 1.742 . . . . 0.0 111.103 172.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.683 1.593 . . . . 0.0 113.567 178.338 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.84 167.77 19.54 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.044 1.338 . . . . 0.0 112.781 169.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.13 113.33 12.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.844 2.058 . . . . 0.0 109.22 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.61 93.24 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.815 1.646 . . . . 0.0 109.081 -163.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -122.62 107.85 12.43 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.375 1.47 . . . . 0.0 111.547 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.59 177.7 4.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.495 1.918 . . . . 0.0 111.955 -174.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -138.68 84.41 2.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.528 1.931 . . . . 0.0 109.454 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.77 178.91 1.55 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.808 1.243 . . . . 0.0 111.076 170.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.445 ' H ' ' HG3' ' B' ' 42' ' ' GLN . 11.1 t -128.12 170.57 12.8 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.597 1.159 . . . . 0.0 109.906 164.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.31 -51.52 53.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 0.0 113.016 -160.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.85 -66.77 0.37 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.919 1.287 . . . . 0.0 112.408 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' B' ' 39' ' ' SER . 4.5 pt20 -59.1 -24.45 62.96 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.252 1.421 . . . . 0.0 114.578 -175.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.77 -55.89 6.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.297 1.039 . . . . 0.0 111.557 168.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -28.41 70.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.025 0.93 . . . . 0.0 112.86 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -31.73 73.02 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.953 1.701 . . . . 0.0 111.094 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.36 -38.45 22.0 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 166.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -57.93 -37.8 74.76 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.215 -0.928 . . . . 0.0 113.335 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -33.98 76.65 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.617 1.167 . . . . 0.0 112.354 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 70.5 mtm -74.71 -42.81 57.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.483 1.113 . . . . 0.0 111.739 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.13 67.49 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.29 -26.9 66.86 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.143 -0.973 . . . . 0.0 113.299 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.69 -32.02 67.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.288 1.035 . . . . 0.0 112.759 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -80.34 -1.6 41.8 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.006 1.722 . . . . 0.0 112.659 168.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 79.46 42.41 0.07 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 128.926 2.89 . . . . 0.0 112.43 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 63.22 101.97 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 129.246 3.018 . . . . 0.0 114.178 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.9 p -149.88 26.76 0.81 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.465 1.906 . . . . 0.0 112.66 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . 0.29 3.6 p -56.31 -32.92 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 120.597 1.544 . . . . 0.0 114.778 -162.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.41 -41.4 63.13 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.617 1.103 . . . . 0.0 114.008 171.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -81.82 -35.43 29.45 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.617 1.567 . . . . 0.0 112.802 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -57.62 -41.54 81.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.288 1.035 . . . . 0.0 111.584 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.1 mt -51.62 -58.19 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.329 1.852 . . . . 0.0 108.894 174.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -52.55 65.16 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.42 0.688 . . . . 0.0 111.534 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -54.68 -37.21 65.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 0.0 111.765 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.19 -43.39 61.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 113.381 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.637 HD11 HD11 ' A' ' 65' ' ' ILE . 68.8 mt -61.25 -45.56 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.004 1.722 . . . . 0.0 109.602 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -37.16 75.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.532 1.133 . . . . 0.0 110.171 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.93 -43.45 94.94 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.655 1.182 . . . . 0.0 112.049 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.75 89.19 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.502 0.721 . . . . 0.0 112.466 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -25.8 67.68 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.448 1.899 . . . . 0.0 113.796 -177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.08 -25.13 63.51 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.182 0.993 . . . . 0.0 113.498 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 126.194 1.798 . . . . 0.0 113.536 -172.733 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 . . . . . 0 CA--C 1.544 0.735 0 CA-C-O 121.714 0.769 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.82 126.89 29.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.578 1.151 . . . . 0.0 111.397 169.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.7 t -144.65 118.7 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.12 1.768 . . . . 0.0 109.147 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -124.97 136.83 54.1 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 126.105 1.762 . . . . 0.0 112.593 -165.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -136.66 163.41 30.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.019 1.727 . . . . 0.0 112.096 -168.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -122.22 89.86 3.19 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.727 1.611 . . . . 0.0 111.022 -174.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -83.68 176.3 9.08 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.136 2.175 . . . . 0.0 112.596 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.0 p -128.57 168.7 15.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.511 1.524 . . . . 0.0 112.043 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.26 -53.04 18.55 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.972 0.909 . . . . 0.0 113.391 -173.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.99 -49.97 74.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.745 0.818 . . . . 0.0 112.599 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.98 -38.32 88.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 0.0 112.297 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -70.71 -51.09 29.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.53 1.132 . . . . 0.0 111.86 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -37.24 86.94 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.36 1.064 . . . . 0.0 113.193 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -64.65 -29.07 70.06 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.129 -0.982 . . . . 0.0 112.926 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 61' ' ' ILE . 1.3 mt -78.73 -37.1 42.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.75 -43.2 99.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.941 0.896 . . . . 0.0 113.258 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.3 -28.23 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.538 -0.726 . . . . 0.0 112.765 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.6 mtm -69.19 -43.23 74.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.118 0.967 . . . . 0.0 111.283 167.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -60.83 -28.39 68.78 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.37 -24.55 60.24 Favored 'General case' 0 CA--C 1.555 1.144 0 O-C-N 121.027 -1.046 . . . . 0.0 113.715 170.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -32.96 72.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.994 1.317 . . . . 0.0 113.259 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.02 -1.03 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.752 2.021 . . . . 0.0 113.306 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 75.03 43.23 0.22 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.917 2.487 . . . . 0.0 112.909 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 69.56 111.92 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 130.058 3.343 . . . . 0.0 114.27 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.52 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 83.8 p -151.99 25.28 0.64 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.961 2.104 . . . . 0.0 111.327 -173.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.9 116.97 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.807 1.243 . . . . 0.0 110.476 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.82 -51.66 0.73 Allowed Glycine 0 N--CA 1.476 1.31 0 C-N-CA 125.357 1.456 . . . . 0.0 111.916 -169.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -72.22 -41.19 67.15 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.813 -0.816 . . . . 0.0 112.139 170.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.93 -39.63 78.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.858 -0.526 . . . . 0.0 111.784 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 46' ' ' LEU . 6.1 mt -53.81 -52.07 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.483 1.513 . . . . 0.0 110.555 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -47.96 78.54 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.623 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.08 -37.9 62.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.232 1.013 . . . . 0.0 113.4 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -37.7 77.34 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.479 1.111 . . . . 0.0 112.453 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.405 HG12 HD11 ' B' ' 65' ' ' ILE . 11.5 mm -68.05 -43.28 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.785 1.234 . . . . 0.0 111.055 170.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -37.14 81.8 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.358 -0.839 . . . . 0.0 110.187 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.14 -39.32 92.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.328 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.34 83.84 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 72' ' ' ILE . 28.2 mt -67.79 -25.63 65.69 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.112 1.365 . . . . 0.0 113.071 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -64.79 -21.61 66.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 169.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -152.88 48.03 0.72 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.469 1.108 . . . . 0.0 113.456 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.636 HD11 HD23 ' A' ' 69' ' ' LEU . 44.7 mt -48.55 -37.75 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.185 1.394 . . . . 0.0 113.47 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 126.824 2.05 . . . . 0.0 110.818 177.786 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -87.79 165.55 15.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.124 0.97 . . . . 0.0 111.596 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.29 129.3 44.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.305 1.442 . . . . 0.0 110.318 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -133.93 91.98 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.073 1.749 . . . . 0.0 109.315 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -98.51 133.79 42.38 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.01 0.924 . . . . 0.0 111.497 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.07 162.52 28.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.677 1.991 . . . . 0.0 110.434 -173.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -133.63 77.56 1.73 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.95 1.7 . . . . 0.0 109.812 -169.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.87 -175.55 3.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.736 1.614 . . . . 0.0 112.449 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -127.97 169.29 14.16 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.194 0.998 . . . . 0.0 111.876 163.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -50.18 -41.92 50.19 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 112.838 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.87 -53.91 53.06 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.626 1.17 . . . . 0.0 113.289 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.48 -42.16 98.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.074 0.549 . . . . 0.0 111.535 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.72 -44.55 66.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.997 0.519 . . . . 0.0 112.337 -178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -35.63 77.21 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.4 -0.813 . . . . 0.0 112.387 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -66.23 -38.24 87.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 174.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.465 HD13 HG12 ' B' ' 61' ' ' ILE . 0.4 OUTLIER -68.86 -38.29 79.64 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.12 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.75 -39.63 92.29 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.682 1.193 . . . . 0.0 113.026 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.58 -34.28 77.88 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.597 0.759 . . . . 0.0 111.758 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.81 72.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.045 0.938 . . . . 0.0 112.477 168.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -60.85 -29.13 69.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.63 -20.83 35.81 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.43 1.092 . . . . 0.0 113.823 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.64 -38.57 89.74 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.103 1.361 . . . . 0.0 113.007 170.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -80.52 -15.0 57.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.677 1.591 . . . . 0.0 113.278 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 93.88 36.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 129.55 3.14 . . . . 0.0 112.154 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 77.05 112.44 0.07 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 130.567 3.547 . . . . 0.0 113.512 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.511 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 81.8 p -153.47 25.37 0.52 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.747 2.019 . . . . 0.0 111.262 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -53.04 120.48 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.163 -0.961 . . . . 0.0 111.416 -175.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.21 -54.56 0.63 Allowed Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.19 1.376 . . . . 0.0 111.239 -168.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.2 m -74.61 -40.56 61.47 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.538 -0.978 . . . . 0.0 111.746 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.81 -35.17 75.81 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.465 HG12 HD13 ' B' ' 46' ' ' LEU . 33.7 mt -55.43 -55.18 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.058 1.343 . . . . 0.0 109.611 171.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -61.99 -47.14 86.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.21 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -50.27 -43.19 53.26 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.256 0.935 . . . . 0.0 111.652 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.46 -38.52 65.43 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.405 HD11 HG12 ' A' ' 65' ' ' ILE . 25.4 mm -62.12 -48.91 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.249 1.42 . . . . 0.0 109.852 169.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.69 74.91 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.604 1.162 . . . . 0.0 110.408 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -64.89 -45.99 83.61 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.567 1.147 . . . . 0.0 111.563 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.86 69.05 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.2 -23.62 66.47 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.803 1.641 . . . . 0.0 113.815 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.68 -21.52 65.8 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 124.545 1.138 . . . . 0.0 113.772 -164.18 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.307 0.575 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.32 141.54 50.78 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -139.88 97.06 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.391 2.276 . . . . 0.0 108.748 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t -118.78 117.18 28.21 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.905 1.282 . . . . 0.0 110.819 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.77 165.26 26.34 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.016 1.327 . . . . 0.0 112.461 -167.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -124.39 86.52 2.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.545 1.538 . . . . 0.0 110.967 -168.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -72.66 169.94 15.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.639 1.576 . . . . 0.0 111.445 172.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -116.65 160.33 20.87 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.953 0.901 . . . . 0.0 111.141 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -44.14 -54.43 5.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.121 1.369 . . . . 0.0 113.685 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.94 -48.22 82.61 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.487 1.115 . . . . 0.0 113.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -61.96 -42.81 99.54 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.091 0.956 . . . . 0.0 111.233 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.83 -43.1 76.22 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.03 0.919 . . . . 0.0 112.736 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -34.79 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 112.26 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -64.19 -39.44 93.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.481 1.037 . . . . 0.0 113.038 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.23 -41.12 97.14 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.625 1.102 . . . . 0.0 112.435 170.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.16 -37.51 85.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.645 1.178 . . . . 0.0 112.734 173.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -37.08 85.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.342 0.657 . . . . 0.0 112.221 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 50.7 mtm -72.57 -43.78 62.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.791 0.836 . . . . 0.0 111.794 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.29 96.31 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.944 0.898 . . . . 0.0 112.949 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -62.67 -28.52 69.98 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.075 -1.016 . . . . 0.0 113.468 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.65 -19.39 63.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.645 1.578 . . . . 0.0 113.371 173.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -110.25 0.65 18.2 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.755 2.022 . . . . 0.0 112.76 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 84.46 47.23 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 128.854 2.862 . . . . 0.0 113.756 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 76.93 120.28 0.05 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 130.037 3.335 . . . . 0.0 114.031 176.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 t -163.72 16.33 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.973 1.709 . . . . 0.0 111.019 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -60.46 131.44 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 120.31 -1.494 . . . . 0.0 111.093 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.51 -57.86 0.74 Allowed Glycine 0 N--CA 1.469 0.867 0 C-N-CA 125.443 1.497 . . . . 0.0 109.946 -168.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.292 -1.122 . . . . 0.0 111.981 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.77 -37.56 79.41 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.912 0.885 . . . . 0.0 112.663 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.32 -55.53 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.783 0.833 . . . . 0.0 109.445 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.46 -47.07 87.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.67 -41.56 70.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.61 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.78 -41.1 79.26 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.366 1.079 . . . . 0.0 112.321 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.53 -41.74 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.285 1.434 . . . . 0.0 110.282 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.86 -36.17 75.31 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.45 0.7 . . . . 0.0 110.669 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.88 -41.69 99.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.208 1.003 . . . . 0.0 111.934 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.45 85.45 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.94 0.896 . . . . 0.0 113.118 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.94 -26.02 68.4 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 113.25 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -58.62 -30.1 66.99 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.415 1.086 . . . . 0.0 113.629 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -160.01 50.78 0.31 Allowed 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -48.86 -39.67 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.822 1.249 . . . . 0.0 113.541 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.249 1.075 0 C-N-CA 126.564 1.946 . . . . 0.0 110.9 -177.83 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -105.34 172.29 6.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.658 1.183 . . . . 0.0 111.112 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.97 132.61 36.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.106 . . . . 0.0 111.673 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.44 99.27 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.92 2.088 . . . . 0.0 108.168 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -117.53 122.2 43.05 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.014 1.325 . . . . 0.0 111.594 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.2 mt -142.76 171.41 14.1 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.346 1.859 . . . . 0.0 112.065 -164.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -136.49 95.39 3.15 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.394 1.878 . . . . 0.0 108.913 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -77.82 177.28 8.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.251 1.421 . . . . 0.0 110.738 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -125.25 162.39 24.82 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.325 0.65 . . . . 0.0 111.249 164.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.67 -31.28 69.4 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -162.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.94 -49.91 72.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.506 1.122 . . . . 0.0 112.873 171.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.03 -42.56 85.57 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.028 1.731 . . . . 0.0 111.46 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -70.44 -43.35 70.05 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.565 0.746 . . . . 0.0 112.649 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.08 -39.6 93.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.619 1.168 . . . . 0.0 113.103 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -65.27 -34.22 77.83 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.491 -0.755 . . . . 0.0 111.605 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.544 HD13 HG12 ' B' ' 61' ' ' ILE . 0.8 OUTLIER -75.17 -33.44 61.46 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 173.052 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.32 -41.02 90.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.859 1.264 . . . . 0.0 113.026 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.98 -27.52 63.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.219 0.608 . . . . 0.0 112.455 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 13.4 mtm -70.06 -46.26 65.34 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.987 0.915 . . . . 0.0 112.405 163.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.88 -28.43 67.54 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -56.24 -27.14 53.95 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 169.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.17 -29.79 65.63 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.935 1.294 . . . . 0.0 113.375 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -89.67 -0.41 57.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.075 2.15 . . . . 0.0 112.9 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 72.33 47.29 0.28 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 127.734 2.414 . . . . 0.0 112.732 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 64.36 113.4 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 129.855 3.262 . . . . 0.0 114.645 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.511 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 41.8 m -154.34 28.21 0.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.011 2.125 . . . . 0.0 110.759 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -55.98 132.84 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 120.501 -1.375 . . . . 0.0 111.751 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.86 -46.22 1.63 Allowed Glycine 0 N--CA 1.475 1.261 0 C-N-CA 125.332 1.444 . . . . 0.0 112.023 -173.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -70.39 -39.83 74.3 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.366 -1.079 . . . . 0.0 111.068 166.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.53 -38.04 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.271 -0.893 . . . . 0.0 112.783 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.544 HG12 HD13 ' B' ' 46' ' ' LEU . 41.8 mt -56.1 -51.77 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.456 1.103 . . . . 0.0 110.395 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -61.91 -50.99 69.96 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.846 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -54.69 -38.67 67.28 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.754 1.221 . . . . 0.0 112.596 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.36 -44.85 90.12 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.561 1.172 . . . . 0.0 112.241 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.47 -44.09 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 125.798 1.639 . . . . 0.0 110.473 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -29.8 65.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.64 0.776 . . . . 0.0 111.044 -176.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.41 -45.36 66.08 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.958 1.303 . . . . 0.0 111.965 169.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.22 72.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.634 0.774 . . . . 0.0 112.795 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.28 -19.51 65.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.492 1.517 . . . . 0.0 113.985 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.61 -34.24 77.8 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.061 0.944 . . . . 0.0 112.449 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt . . . . . 0 CA--C 1.553 1.092 0 C-N-CA 126.951 2.1 . . . . 0.0 111.974 176.587 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 122.403 1.097 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.09 119.66 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.438 2.295 . . . . 0.0 110.844 166.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 98.89 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.47 1.908 . . . . 0.0 109.394 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -108.57 123.12 48.43 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.42 1.888 . . . . 0.0 112.527 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.36 168.09 12.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.405 1.882 . . . . 0.0 112.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.67 77.48 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.947 2.099 . . . . 0.0 110.098 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.11 168.38 12.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.187 1.795 . . . . 0.0 111.44 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -117.77 167.98 10.88 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.288 1.035 . . . . 0.0 111.297 171.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.94 -41.75 75.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -165.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.96 -52.99 61.8 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.958 1.253 . . . . 0.0 112.824 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -53.76 -47.63 70.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.39 1.476 . . . . 0.0 110.808 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -60.75 -49.04 79.09 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.307 . . . . 0.0 111.816 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.71 -43.43 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.04 1.336 . . . . 0.0 112.407 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -44.19 91.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.303 1.041 . . . . 0.0 111.404 173.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.05 -43.52 95.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.863 0.756 . . . . 0.0 112.568 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.71 -38.4 90.32 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.531 -0.731 . . . . 0.0 112.73 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -68.57 -33.49 74.16 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.193 1.397 . . . . 0.0 112.247 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.6 mtm -67.02 -50.37 62.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.916 0.887 . . . . 0.0 110.73 167.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.18 69.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.871 1.269 . . . . 0.0 113.991 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -56.23 -28.38 58.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.195 1.398 . . . . 0.0 112.709 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -70.03 -31.74 69.53 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.412 1.085 . . . . 0.0 112.588 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.43 0.59 57.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.917 2.087 . . . . 0.0 112.909 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 77.83 50.79 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.407 2.683 . . . . 0.0 112.685 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 55.42 82.39 0.1 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 129.471 3.108 . . . . 0.0 114.547 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 76.0 p -118.19 25.09 10.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 128.224 2.609 . . . . 0.0 112.234 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -44.84 -51.85 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 126.165 1.786 . . . . 0.0 114.689 -155.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -59.02 -37.73 91.98 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.0 1.286 . . . . 0.0 113.756 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.3 m -75.69 -37.08 59.83 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.239 1.416 . . . . 0.0 111.995 171.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -60.48 -41.99 95.34 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.205 0.911 . . . . 0.0 111.789 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.494 HD13 HG13 ' B' ' 34' ' ' VAL . 39.4 mt -51.61 -57.58 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.402 1.481 . . . . 0.0 109.979 171.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.98 -44.72 96.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.999 0.919 . . . . 0.0 111.463 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -55.73 -39.5 71.19 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.46 1.904 . . . . 0.0 111.951 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.69 -40.87 79.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.414 1.006 . . . . 0.0 112.828 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.07 -42.45 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.201 1.4 . . . . 0.0 110.215 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.39 -36.03 73.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.793 0.837 . . . . 0.0 111.051 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.51 -43.93 93.25 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.511 1.524 . . . . 0.0 111.292 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.73 88.38 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.6 -28.13 69.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.576 1.551 . . . . 0.0 112.869 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -54.77 -36.06 64.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.945 1.298 . . . . 0.0 112.779 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -155.94 75.45 0.9 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.492 1.517 . . . . 0.0 112.64 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.54 -36.73 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.433 1.093 . . . . 0.0 113.458 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.858 1.663 . . . . 0.0 111.796 -179.153 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 121.398 0.618 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.49 170.09 9.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.401 2.281 . . . . 0.0 111.04 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.16 115.86 21.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.212 1.405 . . . . 0.0 110.529 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.494 HG13 HD13 ' A' ' 61' ' ' ILE . 92.9 t -127.83 89.74 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.597 1.559 . . . . 0.0 109.638 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -117.89 128.86 55.23 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.099 0.96 . . . . 0.0 113.489 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.45 172.19 13.36 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.402 1.481 . . . . 0.0 113.064 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -130.36 83.48 2.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.372 1.869 . . . . 0.0 110.019 -161.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.8 -177.81 5.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.612 1.965 . . . . 0.0 111.833 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -129.11 173.71 10.22 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.604 1.161 . . . . 0.0 111.139 164.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.08 -35.63 67.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.722 1.209 . . . . 0.0 113.45 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.31 -50.67 69.14 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.895 -1.128 . . . . 0.0 112.564 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.81 -47.32 86.86 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.041 1.736 . . . . 0.0 111.235 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.81 -38.2 82.98 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.753 -0.592 . . . . 0.0 112.406 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -65.07 -39.36 93.11 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -43.59 95.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.228 0.611 . . . . 0.0 112.003 172.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.1 -47.39 86.51 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.461 0.704 . . . . 0.0 112.578 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.83 -40.18 83.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.798 0.839 . . . . 0.0 112.811 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -62.77 -36.14 82.1 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.151 0.98 . . . . 0.0 112.187 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 47.8 mtm -74.96 -42.06 58.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.593 1.557 . . . . 0.0 112.522 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.56 60.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.932 1.693 . . . . 0.0 114.359 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.39 -23.05 56.02 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.824 1.193 . . . . 0.0 113.038 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -70.76 -35.3 72.56 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.054 -1.029 . . . . 0.0 112.867 170.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -75.83 -1.7 26.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.777 1.631 . . . . 0.0 113.065 166.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 69.34 40.39 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.341 2.256 . . . . 0.0 111.941 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 65.1 115.95 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 130.606 3.562 . . . . 0.0 114.965 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 39.7 t -144.38 -55.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.158 1.383 . . . . 0.0 110.239 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 t 68.46 141.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 129.432 3.093 . . . . 0.0 112.786 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.06 -39.75 2.07 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.636 1.589 . . . . 0.0 112.216 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.9 t -59.78 -40.76 89.34 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.499 -1.001 . . . . 0.0 111.321 171.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.41 -39.83 76.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.468 1.107 . . . . 0.0 112.508 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -52.88 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.306 1.443 . . . . 0.0 109.47 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -62.07 -50.32 72.45 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.285 0.634 . . . . 0.0 110.215 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -51.9 -42.85 63.04 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.903 1.681 . . . . 0.0 111.925 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.88 -44.89 75.97 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.204 1.002 . . . . 0.0 112.776 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.3 -39.24 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 126.106 1.762 . . . . 0.0 110.133 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.49 -32.97 64.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.309 1.043 . . . . 0.0 110.757 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -64.26 -48.19 76.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.116 1.366 . . . . 0.0 111.675 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.15 70.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.685 1.194 . . . . 0.0 112.846 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -27.62 68.82 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.31 -20.23 27.19 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.018 1.727 . . . . 0.0 114.037 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 tttt . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 126.29 1.836 . . . . 0.0 113.775 177.06 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 132.56 53.51 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.726 1.21 . . . . 0.0 111.557 170.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -142.88 103.95 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.511 1.925 . . . . 0.0 109.402 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -102.89 127.33 50.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.121 1.369 . . . . 0.0 112.062 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.9 164.49 22.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.029 2.132 . . . . 0.0 111.396 -168.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.83 81.86 1.99 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.28 1.432 . . . . 0.0 110.297 -166.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -82.52 172.95 12.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.457 1.903 . . . . 0.0 112.319 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -85.59 145.9 27.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 121.987 -0.446 . . . . 0.0 109.824 162.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.36 -29.41 63.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.893 0.477 . . . . 0.0 111.708 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.54 -56.43 16.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.708 -1.245 . . . . 0.0 111.906 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -60.54 -38.36 84.23 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.897 1.279 . . . . 0.0 111.858 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -57.85 -54.26 48.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.762 1.225 . . . . 0.0 111.753 173.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.959 0.903 . . . . 0.0 112.943 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -60.81 -42.18 97.16 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.524 -0.735 . . . . 0.0 111.473 171.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.482 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -67.11 -31.04 71.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 170.391 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.35 -40.02 93.07 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.734 -1.229 . . . . 0.0 112.467 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -64.53 -35.48 81.09 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.813 0.845 . . . . 0.0 112.541 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.9 mtp -65.72 -48.94 70.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.25 1.42 . . . . 0.0 110.747 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.552 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.85 -32.09 73.24 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.886 1.274 . . . . 0.0 114.002 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -26.47 66.35 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.634 1.106 . . . . 0.0 112.169 174.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -71.98 -25.57 61.91 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.536 1.134 . . . . 0.0 112.68 173.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -97.16 2.67 51.35 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.731 2.012 . . . . 0.0 112.081 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.5 52.5 0.17 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.331 2.652 . . . . 0.0 112.96 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 59.85 102.06 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.668 3.187 . . . . 0.0 115.262 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.552 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 79.9 p -145.9 27.1 1.21 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.623 2.369 . . . . 0.0 111.397 -173.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.38 115.01 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.788 1.235 . . . . 0.0 110.234 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.64 -51.32 0.71 Allowed Glycine 0 N--CA 1.473 1.105 0 C-N-CA 125.138 1.351 . . . . 0.0 112.274 -170.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.22 -39.05 92.26 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.088 -1.242 . . . . 0.0 111.205 166.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.25 -39.25 94.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.839 0.855 . . . . 0.0 112.424 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG1' HD13 ' A' ' 46' ' ' LEU . 45.0 mt -55.18 -58.07 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.583 1.153 . . . . 0.0 109.346 170.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -56.94 -50.94 71.07 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.891 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -44.9 -45.88 10.59 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.501 1.92 . . . . 0.0 111.67 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -40.65 74.6 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 HG12 ' B' ' 65' ' ' ILE . 24.3 mm -62.92 -44.92 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.352 1.461 . . . . 0.0 110.031 170.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -35.02 75.94 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 110.55 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.14 -50.57 67.67 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.01 1.724 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.67 -25.0 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.57 -24.82 67.72 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.182 1.793 . . . . 0.0 113.244 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -54.56 -44.46 72.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.848 1.259 . . . . 0.0 111.993 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 80.64 1.75 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.001 2.121 . . . . 0.0 110.929 168.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.5 mt -51.07 -50.95 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.122 0.969 . . . . 0.0 111.796 167.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.462 1.905 . . . . 0.0 114.973 -178.737 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.673 0.273 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -73.5 159.69 32.81 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.103 1.361 . . . . 0.0 110.965 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.85 108.31 12.85 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.165 1.786 . . . . 0.0 110.123 -175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 44.0 t -132.06 92.02 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.021 1.328 . . . . 0.0 109.826 -167.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -114.88 122.3 45.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.818 1.247 . . . . 0.0 112.23 -170.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -111.6 163.82 13.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.373 1.869 . . . . 0.0 110.614 -174.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -133.23 81.73 1.95 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.558 1.543 . . . . 0.0 109.58 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -69.68 167.46 16.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.902 0.881 . . . . 0.0 111.561 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -117.09 92.64 3.91 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.583 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 35.11 -67.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 1 C-N-CA 132.268 4.227 . . . . 0.0 116.691 169.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.95 -50.76 60.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.974 1.31 . . . . 0.0 111.972 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -54.49 -47.12 73.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.437 1.495 . . . . 0.0 111.773 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.93 -46.27 82.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.564 0.746 . . . . 0.0 111.738 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.45 -34.47 78.36 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 125.269 1.428 . . . . 0.0 113.346 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -38.31 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.866 1.267 . . . . 0.0 111.215 171.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.97 -31.14 58.87 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.71 -40.57 97.57 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.818 -1.176 . . . . 0.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -62.41 -34.04 75.95 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.405 1.482 . . . . 0.0 112.062 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mtm -71.44 -44.46 64.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.61 1.164 . . . . 0.0 112.607 167.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.41 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -57.12 -28.97 63.15 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.187 0.903 . . . . 0.0 113.254 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -56.97 -23.79 48.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.152 1.381 . . . . 0.0 113.635 171.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.24 -42.61 93.18 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.791 1.236 . . . . 0.0 112.397 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.72 -3.69 54.34 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.555 1.542 . . . . 0.0 113.276 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 92.6 37.63 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.834 3.254 . . . . 0.0 112.331 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 67.72 90.39 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.589 3.156 . . . . 0.0 112.922 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.41 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 65.6 p -142.61 44.69 1.61 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.213 2.205 . . . . 0.0 109.857 -174.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.08 142.67 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.902 0.858 . . . . 0.0 111.553 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -53.46 0.82 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.784 1.659 . . . . 0.0 110.463 -164.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -68.94 -48.73 62.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.575 -0.956 . . . . 0.0 112.461 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.76 -44.28 93.93 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.493 0.588 . . . . 0.0 111.205 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.56 -51.39 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 128.004 2.522 . . . . 0.0 110.452 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -62.47 -57.21 12.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.903 0.481 . . . . 0.0 110.934 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -49.41 -39.26 31.98 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.271 1.428 . . . . 0.0 112.912 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.16 -37.93 75.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.532 1.06 . . . . 0.0 113.238 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.424 HG12 HD11 ' A' ' 65' ' ' ILE . 10.3 mm -64.1 -48.84 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.678 1.191 . . . . 0.0 109.548 168.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.48 -30.52 68.43 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.296 0.498 . . . . 0.0 111.637 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -46.25 90.61 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 126.784 2.034 . . . . 0.0 111.558 168.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.47 82.75 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -17.86 64.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.782 2.033 . . . . 0.0 113.401 -174.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.6 -33.71 73.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.686 1.195 . . . . 0.0 113.564 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -160.415 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 121.151 0.501 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 125.74 24.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.289 1.036 . . . . 0.0 111.303 168.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.3 t -148.99 116.36 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.058 1.743 . . . . 0.0 109.941 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -132.87 143.3 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 125.475 1.51 . . . . 0.0 114.024 -170.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.41 -179.25 6.63 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 127.527 2.331 . . . . 0.0 112.786 -173.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.61 95.1 3.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.608 1.963 . . . . 0.0 109.597 -163.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.37 -166.56 0.19 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.553 1.941 . . . . 0.0 113.1 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m -139.54 160.76 39.11 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 120.996 -1.065 . . . . 0.0 110.852 155.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.44 -50.94 38.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.522 1.129 . . . . 0.0 113.376 -164.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.78 -48.75 80.43 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.038 0.935 . . . . 0.0 112.568 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.53 -39.6 94.83 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.681 1.193 . . . . 0.0 111.985 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.93 -49.21 60.02 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.354 0.662 . . . . 0.0 112.257 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -35.27 76.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.8 1.24 . . . . 0.0 112.365 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -61.63 -41.1 97.0 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.0 0.818 . . . . 0.0 111.332 171.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.13 -33.76 65.72 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.91 -41.5 95.53 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.699 1.2 . . . . 0.0 113.596 173.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -32.37 73.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.058 0.543 . . . . 0.0 112.391 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.9 mtm -76.22 -34.34 59.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.496 1.118 . . . . 0.0 113.477 170.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.42 68.27 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.22 -23.52 56.06 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -71.66 -31.5 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.386 1.474 . . . . 0.0 113.395 171.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -86.43 -4.81 59.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.416 1.887 . . . . 0.0 113.266 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 80.17 41.79 0.06 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.593 2.757 . . . . 0.0 113.423 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.35 100.35 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 129.038 2.935 . . . . 0.0 113.559 -176.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m -152.79 36.24 0.49 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.401 1.881 . . . . 0.0 112.474 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -46.53 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -166.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.84 98.92 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-N 119.284 0.947 . . . . 0.0 112.31 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 m -68.85 -37.83 79.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.074 0.95 . . . . 0.0 111.907 175.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -45.32 93.02 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.696 0.798 . . . . 0.0 111.175 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.6 mt -56.32 -53.38 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.183 172.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -45.74 92.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 -175.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -57.73 -38.93 76.17 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 127.238 2.215 . . . . 0.0 113.038 175.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.5 -32.14 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.076 0.941 . . . . 0.0 112.734 -173.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.5 -45.33 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.584 1.153 . . . . 0.0 109.825 167.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.48 -37.67 71.29 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.245 -0.91 . . . . 0.0 110.812 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.56 -39.68 88.86 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.844 1.257 . . . . 0.0 111.696 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -38.19 57.14 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 72' ' ' ILE . 14.8 mt -64.65 -27.16 68.74 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.001 1.72 . . . . 0.0 113.562 -175.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.44 -22.33 54.07 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -155.86 52.37 0.57 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.076 1.35 . . . . 0.0 113.114 -172.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 69' ' ' LEU . 3.0 mt -47.5 -41.07 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 124.557 1.143 . . . . 0.0 113.289 175.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.152 0 C-N-CA 126.762 2.025 . . . . 0.0 111.732 175.246 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -79.21 116.87 19.74 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.365 1.866 . . . . 0.0 111.815 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 137.89 58.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.639 1.176 . . . . 0.0 111.147 166.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.9 t -138.97 116.31 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 127.879 2.472 . . . . 0.0 107.732 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -135.18 126.7 28.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.777 1.631 . . . . 0.0 110.921 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -136.64 169.77 17.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.03 1.732 . . . . 0.0 111.151 -164.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -132.27 83.54 2.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.127 1.371 . . . . 0.0 111.446 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -71.62 178.91 3.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.626 1.571 . . . . 0.0 112.455 170.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.4 m -137.23 164.81 27.64 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.702 1.201 . . . . 0.0 110.612 164.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -38.78 20.88 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.06 -51.31 67.19 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.164 1.347 . . . . 0.0 112.343 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.5 -38.24 89.16 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.464 1.506 . . . . 0.0 111.771 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -64.9 -46.34 82.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.094 0.958 . . . . 0.0 111.421 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.19 -39.36 75.27 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.373 1.069 . . . . 0.0 113.381 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.416 ' HB3' HD22 ' A' ' 69' ' ' LEU . 25.1 mmtt -56.39 -39.25 72.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.643 0.777 . . . . 0.0 112.311 170.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.16 -41.1 62.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 172.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.73 -38.72 86.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.457 1.103 . . . . 0.0 113.22 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -68.86 -30.36 68.87 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.7 mtm -72.19 -44.0 63.67 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.467 1.107 . . . . 0.0 112.317 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.429 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.48 -28.48 65.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.787 1.235 . . . . 0.0 113.677 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.04 -25.73 61.57 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.76 -25.23 63.72 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.724 1.21 . . . . 0.0 113.725 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -101.89 2.12 37.72 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.011 2.524 . . . . 0.0 112.746 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 74.53 46.87 0.14 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.529 2.731 . . . . 0.0 113.828 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 64.73 99.48 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.739 2.816 . . . . 0.0 114.091 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.429 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 69.6 p -150.03 22.57 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.179 1.791 . . . . 0.0 113.089 -170.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.1 m -44.5 -44.98 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -164.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.13 -39.39 89.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.265 0.936 . . . . 0.0 113.778 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -81.58 -36.72 28.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.991 1.316 . . . . 0.0 112.529 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.23 -37.93 78.73 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.635 0.774 . . . . 0.0 112.437 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.3 mt -52.45 -53.4 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.263 1.425 . . . . 0.0 110.0 173.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -61.89 -49.18 77.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.981 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -39.12 62.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.919 1.288 . . . . 0.0 111.871 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.3 -40.42 67.54 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.177 -0.952 . . . . 0.0 112.755 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.45 -42.11 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.815 1.246 . . . . 0.0 110.872 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -37.16 76.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.727 0.811 . . . . 0.0 109.941 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.68 -40.36 95.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.22 1.008 . . . . 0.0 112.565 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.63 97.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 111.797 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.31 -26.92 68.27 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.854 -1.154 . . . . 0.0 113.319 -174.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -63.28 -14.07 45.5 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 mttp . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 125.408 1.483 . . . . 0.0 114.112 176.097 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 122.116 0.96 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.13 144.7 39.45 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.99 0.916 . . . . 0.0 113.359 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.6 t -138.67 92.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.236 2.215 . . . . 0.0 108.094 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t -118.65 115.83 25.33 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.236 1.014 . . . . 0.0 111.715 -171.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.3 168.79 14.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.471 1.508 . . . . 0.0 113.157 -172.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -130.76 65.17 1.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.487 1.915 . . . . 0.0 110.88 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 11.2 m-85 -65.9 164.94 13.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.24 1.816 . . . . 0.0 112.726 -178.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -87.93 160.79 17.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.58 -0.7 . . . . 0.0 111.402 165.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -51.06 -39.86 56.95 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.044 0.537 . . . . 0.0 112.01 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.91 -54.74 33.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.019 1.328 . . . . 0.0 112.677 176.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.72 -33.09 75.14 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.413 0.685 . . . . 0.0 112.593 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -66.76 -50.03 64.01 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.9 1.28 . . . . 0.0 112.165 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -58.71 -35.09 72.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.186 0.994 . . . . 0.0 112.724 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.72 -24.3 66.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.1 1.36 . . . . 0.0 114.123 170.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -81.79 -47.79 12.42 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.081 1.31 . . . . 0.0 112.914 159.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.53 -38.97 64.28 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.619 1.1 . . . . 0.0 113.745 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -69.98 -30.4 67.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.034 0.934 . . . . 0.0 113.096 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 51.6 mtm -80.08 -40.53 27.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.162 0.985 . . . . 0.0 112.169 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.505 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.22 -34.1 71.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.554 1.542 . . . . 0.0 113.068 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.94 -27.55 68.91 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.904 -1.122 . . . . 0.0 113.969 172.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.04 -26.27 61.24 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.881 1.272 . . . . 0.0 112.995 170.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.86 0.48 54.84 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.887 2.075 . . . . 0.0 112.545 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 69.28 44.96 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.666 2.386 . . . . 0.0 112.965 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 69.2 110.66 0.05 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.756 3.222 . . . . 0.0 113.899 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.505 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 6.8 t -153.31 29.1 0.49 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.514 1.926 . . . . 0.0 110.765 -174.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.36 132.32 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.02 -1.675 . . . . 0.0 112.461 -174.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.74 -45.06 3.43 Favored Glycine 0 N--CA 1.472 1.062 0 C-N-CA 126.129 1.823 . . . . 0.0 112.044 -174.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 m -64.74 -31.58 72.87 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.167 -1.196 . . . . 0.0 112.095 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.23 -40.25 81.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.587 1.155 . . . . 0.0 112.375 167.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.415 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -62.31 -50.36 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.556 1.142 . . . . 0.0 110.721 176.82 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -60.47 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -61.92 -30.69 71.06 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.861 -1.15 . . . . 0.0 113.373 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -43.92 80.52 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.163 1.347 . . . . 0.0 111.8 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.3 mm -63.15 -43.0 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.595 1.158 . . . . 0.0 110.23 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.63 -32.47 67.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.418 0.687 . . . . 0.0 110.994 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -65.04 -45.71 84.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.77 1.228 . . . . 0.0 111.607 171.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.02 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.501 0.72 . . . . 0.0 112.895 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.97 69.21 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.055 1.342 . . . . 0.0 113.077 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -63.4 -21.74 66.46 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -158.59 50.47 0.39 Allowed 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.5 mm -48.36 -36.18 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.83 -1.169 . . . . 0.0 113.857 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 126.57 1.948 . . . . 0.0 110.705 176.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -82.79 175.01 10.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.431 1.092 . . . . 0.0 111.414 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 124.84 31.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.397 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.71 89.45 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.081 1.752 . . . . 0.0 108.541 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -112.07 119.72 39.41 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.712 1.205 . . . . 0.0 112.369 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.13 172.47 9.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.837 2.455 . . . . 0.0 111.053 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -136.4 82.86 1.97 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.057 1.743 . . . . 0.0 110.571 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -72.75 177.47 4.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.975 . . . . 0.0 110.741 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.1 m -126.01 173.23 9.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.658 0.783 . . . . 0.0 110.961 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -53.7 -38.11 63.94 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -165.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.4 -53.19 56.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.112 0.965 . . . . 0.0 112.899 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -57.72 -45.72 85.37 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.073 1.349 . . . . 0.0 111.229 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.57 -38.15 74.07 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.579 -0.7 . . . . 0.0 112.529 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -67.28 -41.13 85.96 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.808 0.843 . . . . 0.0 112.263 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -58.29 -43.69 88.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.779 0.718 . . . . 0.0 111.563 172.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.426 HD12 HG13 ' B' ' 61' ' ' ILE . 2.0 mm? -66.95 -37.74 84.83 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.99 -39.74 95.66 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.967 0.907 . . . . 0.0 113.249 171.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.05 -36.01 82.98 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.019 0.928 . . . . 0.0 111.977 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 48.6 mtp -73.06 -41.0 64.61 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.639 1.576 . . . . 0.0 112.143 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . . . -65.99 -15.42 63.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.046 1.738 . . . . 0.0 115.015 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.49 -21.88 18.51 Favored 'General case' 0 CA--C 1.556 1.196 0 O-C-N 121.107 -0.996 . . . . 0.0 113.385 166.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.21 -39.74 94.62 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.179 0.992 . . . . 0.0 113.081 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.8 3.49 54.26 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 128.154 2.581 . . . . 0.0 113.203 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 73.48 39.12 0.6 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.716 2.406 . . . . 0.0 113.22 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 62.11 131.09 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.163 3.385 . . . . 0.0 115.705 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.3 p -167.27 -32.32 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.373 1.869 . . . . 0.0 112.593 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t 55.9 -67.46 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 130.768 3.627 . . . . 0.0 115.678 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.09 97.2 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.989 1.268 . . . . 0.0 112.148 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -66.45 -36.78 83.63 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.689 -0.889 . . . . 0.0 111.71 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' B' ' 50' ' ' ALA . 4.6 t80 -65.67 -41.1 92.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.431 -0.793 . . . . 0.0 112.305 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.426 HG13 HD12 ' B' ' 46' ' ' LEU . 73.4 mt -55.26 -49.47 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.864 0.866 . . . . 0.0 109.016 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.07 -49.85 72.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.077 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -60.1 -35.91 76.27 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.272 -0.892 . . . . 0.0 112.62 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -68.35 -43.38 77.6 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.621 1.201 . . . . 0.0 112.587 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.84 -42.3 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 125.176 1.39 . . . . 0.0 110.524 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -70.81 -32.26 69.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.352 0.661 . . . . 0.0 110.887 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.9 -45.39 82.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.06 0.944 . . . . 0.0 112.045 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.44 77.83 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.523 0.729 . . . . 0.0 112.677 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -19.86 66.07 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.274 1.829 . . . . 0.0 114.009 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.88 -26.47 68.17 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 170.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? . . . . . 0 CA--C 1.555 1.147 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -170.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 121.953 0.882 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.17 129.8 41.04 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.938 1.695 . . . . 0.0 111.936 174.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.1 t -144.53 104.87 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.746 . . . . 0.0 110.651 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -109.89 129.92 55.59 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.893 1.277 . . . . 0.0 113.781 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.08 171.1 11.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.235 2.214 . . . . 0.0 112.554 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.38 78.21 1.79 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.333 1.853 . . . . 0.0 110.488 -166.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.36 169.3 17.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.822 2.049 . . . . 0.0 111.886 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.7 p -90.42 165.54 13.77 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.425 -0.797 . . . . 0.0 111.959 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.69 -44.53 73.47 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.996 0.518 . . . . 0.0 111.308 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -51.86 65.53 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.203 1.001 . . . . 0.0 111.473 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -58.28 -40.12 81.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.237 1.415 . . . . 0.0 112.258 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -66.67 -53.05 38.02 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.277 1.831 . . . . 0.0 111.582 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.96 -36.86 78.02 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.139 1.376 . . . . 0.0 112.892 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -39.24 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.911 0.885 . . . . 0.0 111.771 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.05 -38.65 61.31 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 172.373 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.66 -42.33 92.58 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.237 -0.914 . . . . 0.0 112.567 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.02 -35.83 82.0 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.97 1.308 . . . . 0.0 112.349 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.6 mtm -68.13 -45.28 74.05 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.825 1.25 . . . . 0.0 111.643 170.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -61.19 -26.44 67.72 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.736 1.215 . . . . 0.0 113.952 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.16 -26.68 66.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.683 1.129 . . . . 0.0 113.383 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -72.08 -30.57 65.24 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.114 -0.991 . . . . 0.0 112.68 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.49 -0.27 36.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.354 1.862 . . . . 0.0 113.066 166.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 68.68 44.45 1.17 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.395 2.278 . . . . 0.0 112.364 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 71.3 109.04 0.06 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 130.224 3.41 . . . . 0.0 114.129 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.486 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 3.7 t -155.11 23.53 0.43 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.53 1.532 . . . . 0.0 112.138 -169.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.35 128.76 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 120.276 -1.515 . . . . 0.0 110.413 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.75 -39.72 2.7 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.661 1.124 . . . . 0.0 113.334 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.7 m -75.76 -43.09 48.32 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.65 -0.912 . . . . 0.0 110.967 165.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.66 -43.8 69.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.187 1.395 . . . . 0.0 111.957 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' HD13 ' A' ' 46' ' ' LEU . 28.5 mt -47.87 -59.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.798 1.639 . . . . 0.0 110.175 171.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -60.04 -50.71 72.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.181 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -48.67 -46.23 40.0 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.192 0.905 . . . . 0.0 111.671 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.64 -41.17 79.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 112.496 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.428 HD11 HG13 ' B' ' 65' ' ' ILE . 17.2 mm -69.18 -38.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.678 1.591 . . . . 0.0 111.359 176.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -35.34 71.9 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.361 1.065 . . . . 0.0 110.361 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.93 -41.58 91.19 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.521 1.528 . . . . 0.0 112.348 171.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.08 94.44 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 112.429 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -25.4 68.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.144 1.377 . . . . 0.0 112.991 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.42 -33.94 68.42 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.963 1.305 . . . . 0.0 112.972 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -156.59 67.09 0.56 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.409 1.884 . . . . 0.0 113.078 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.7 mm -52.76 -40.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.584 1.154 . . . . 0.0 112.759 170.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.078 1.751 . . . . 0.0 113.96 179.034 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.91 0.386 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -83.26 171.51 13.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.583 1.553 . . . . 0.0 111.339 175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.74 17.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.839 1.656 . . . . 0.0 109.92 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 70.6 t -127.23 90.17 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 126.221 1.808 . . . . 0.0 108.622 -173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -109.8 120.84 43.72 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.089 1.356 . . . . 0.0 111.407 -170.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.9 159.25 24.13 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.324 1.85 . . . . 0.0 110.29 -168.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -137.43 87.99 2.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.186 1.394 . . . . 0.0 109.89 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -79.54 171.61 14.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.537 1.535 . . . . 0.0 112.176 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -122.88 172.16 8.68 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.135 1.374 . . . . 0.0 111.061 164.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -48.72 -52.9 21.16 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.225 1.41 . . . . 0.0 113.717 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.79 -54.79 40.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.213 1.005 . . . . 0.0 112.802 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.9 -44.1 82.02 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.215 1.406 . . . . 0.0 112.057 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.82 -43.3 72.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.051 0.541 . . . . 0.0 111.929 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.033 1.333 . . . . 0.0 111.749 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -61.54 -46.94 87.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.119 0.872 . . . . 0.0 111.126 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.424 HD13 HG12 ' B' ' 61' ' ' ILE . 1.8 mt -70.81 -24.82 62.63 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -43.33 73.44 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.044 1.338 . . . . 0.0 113.273 168.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.51 -34.97 76.41 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.647 -0.658 . . . . 0.0 112.214 174.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 67.8 mtp -70.7 -43.87 68.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.804 1.642 . . . . 0.0 112.213 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -26.59 66.74 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.452 1.101 . . . . 0.0 113.783 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.06 -25.39 61.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.915 0.886 . . . . 0.0 113.054 171.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.06 -27.34 63.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.078 0.951 . . . . 0.0 113.303 174.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -95.82 1.53 53.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.514 1.926 . . . . 0.0 112.624 169.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 76.85 50.49 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.664 2.785 . . . . 0.0 112.706 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 57.97 82.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.465 2.706 . . . . 0.0 114.099 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -138.38 62.1 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.566 1.946 . . . . 0.0 109.341 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -48.11 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.344 1.458 . . . . 0.0 113.938 -167.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.42 98.67 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 123.933 0.778 . . . . 0.0 111.766 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.77 -42.23 91.07 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.782 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.59 -41.25 93.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.659 1.118 . . . . 0.0 111.689 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.424 HG12 HD13 ' B' ' 46' ' ' LEU . 33.6 mt -54.87 -49.0 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.206 1.802 . . . . 0.0 109.329 173.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -57.94 -62.12 2.04 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 123.277 0.361 . . . . 0.0 110.704 172.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.81 -33.91 37.78 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.753 2.421 . . . . 0.0 112.605 -173.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.0 -41.63 81.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.428 HG13 HD11 ' A' ' 65' ' ' ILE . 69.1 mt -58.98 -41.98 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.15 1.38 . . . . 0.0 108.946 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -71.0 -37.46 72.67 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.602 -0.686 . . . . 0.0 111.249 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.04 -41.62 98.31 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.591 1.956 . . . . 0.0 111.862 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.23 81.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.037 0.935 . . . . 0.0 111.298 172.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.91 -33.16 71.5 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.073 1.349 . . . . 0.0 112.053 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -18.96 25.17 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.897 2.479 . . . . 0.0 115.507 170.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 tttp . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 127.118 2.167 . . . . 0.0 112.859 177.009 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 122.908 1.337 . . . . 0.0 109.885 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 123.56 19.88 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.742 2.817 . . . . 0.0 112.164 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.82 99.87 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 126.831 2.052 . . . . 0.0 109.201 -173.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 t -108.83 114.2 27.78 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.138 1.375 . . . . 0.0 111.404 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.8 172.06 7.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.489 1.516 . . . . 0.0 112.538 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.79 75.27 1.59 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.692 2.397 . . . . 0.0 108.836 -170.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -73.56 177.35 5.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.933 1.693 . . . . 0.0 109.953 172.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.2 t -131.56 170.4 14.78 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.043 0.937 . . . . 0.0 111.584 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.45 -53.61 22.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.608 1.563 . . . . 0.0 113.458 -167.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.27 -49.23 76.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.204 0.911 . . . . 0.0 112.26 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -58.12 -45.83 86.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.248 1.419 . . . . 0.0 111.443 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.71 -44.36 74.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.332 1.453 . . . . 0.0 112.903 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -36.86 85.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 111.091 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -56.72 -50.11 73.15 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.42 0.688 . . . . 0.0 111.591 167.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD11 HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -60.06 -42.46 94.55 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.021 0.928 . . . . 0.0 113.077 176.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.62 -38.36 90.83 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 173.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.19 94.67 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.504 -0.747 . . . . 0.0 111.466 175.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 49.4 mtp -68.26 -41.17 81.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.532 1.933 . . . . 0.0 111.92 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -55.87 -33.35 64.49 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.02 1.728 . . . . 0.0 113.859 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.75 -22.97 67.1 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -13.73 60.68 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.263 1.425 . . . . 0.0 113.094 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.67 4.83 13.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.244 1.818 . . . . 0.0 111.859 171.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 66.74 62.36 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.508 2.723 . . . . 0.0 113.062 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 68.1 98.25 0.06 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.447 2.699 . . . . 0.0 114.773 171.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.504 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 18.2 p -154.36 30.15 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.878 2.071 . . . . 0.0 111.927 -170.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.64 124.85 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 120.624 -1.298 . . . . 0.0 111.818 -169.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.37 -45.52 2.22 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.603 1.573 . . . . 0.0 111.998 -175.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.0 m -63.51 -34.72 78.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.345 -1.091 . . . . 0.0 111.36 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.31 -40.52 90.87 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.268 1.027 . . . . 0.0 112.16 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.52 HG13 HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.47 -55.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.986 1.314 . . . . 0.0 107.822 171.329 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.13 -53.96 52.45 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -174.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.0 tpt85 -50.03 -39.48 41.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.824 2.45 . . . . 0.0 112.712 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -37.8 82.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.347 1.059 . . . . 0.0 113.065 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.421 HG13 HD11 ' B' ' 65' ' ' ILE . 75.0 mt -63.62 -41.22 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.486 1.515 . . . . 0.0 109.015 172.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.07 -38.61 75.8 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.306 0.642 . . . . 0.0 110.633 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -61.76 -48.29 81.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 125.979 1.712 . . . . 0.0 111.164 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.85 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.301 1.041 . . . . 0.0 113.224 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -26.13 68.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.804 1.642 . . . . 0.0 113.178 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -56.51 -41.61 76.98 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.678 1.191 . . . . 0.0 112.526 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -141.57 79.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.92 2.088 . . . . 0.0 111.286 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.4 mt -51.42 -40.66 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.173 0.989 . . . . 0.0 112.533 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 128.175 2.59 . . . . 0.0 114.799 177.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 121.025 0.44 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -94.57 99.23 11.41 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.526 1.531 . . . . 0.0 112.336 -175.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 124.45 20.77 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.502 1.521 . . . . 0.0 111.014 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 58.6 t -127.99 95.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.947 2.099 . . . . 0.0 109.126 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 t -115.34 123.6 49.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.068 1.347 . . . . 0.0 113.142 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.7 mt -142.5 165.34 27.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.705 1.602 . . . . 0.0 112.022 -162.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -129.18 97.41 4.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.861 2.065 . . . . 0.0 109.284 -173.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -72.26 -179.55 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.216 1.406 . . . . 0.0 112.121 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m -116.72 166.74 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.701 0.8 . . . . 0.0 111.374 162.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.47 -49.92 66.4 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.143 0.977 . . . . 0.0 112.871 -165.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.56 -52.29 66.29 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.799 1.24 . . . . 0.0 112.232 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.14 -43.27 82.28 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.405 1.482 . . . . 0.0 111.661 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -67.44 -43.05 82.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.017 0.527 . . . . 0.0 112.117 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.44 -33.98 76.27 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.787 1.235 . . . . 0.0 113.163 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.634 1.174 . . . . 0.0 110.528 171.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -39.26 92.69 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 172.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.21 -40.99 97.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.409 -0.807 . . . . 0.0 113.018 171.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.634 1.174 . . . . 0.0 111.954 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 23.6 mtm -67.77 -48.94 64.97 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.409 1.484 . . . . 0.0 111.765 169.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.6 -28.64 68.67 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.62 1.168 . . . . 0.0 113.542 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -27.14 66.08 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.531 1.06 . . . . 0.0 112.262 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -70.2 -32.36 70.23 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.488 1.115 . . . . 0.0 112.002 172.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -85.66 0.48 52.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.984 1.714 . . . . 0.0 112.485 170.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 74.15 48.4 0.13 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.671 2.788 . . . . 0.0 112.73 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 58.39 84.46 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.729 2.812 . . . . 0.0 114.104 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -141.32 43.49 1.77 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.474 2.31 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -46.59 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -168.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.0 98.13 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.858 0.742 . . . . 0.0 112.688 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 66.9 m -68.95 -38.9 79.72 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.642 -0.916 . . . . 0.0 111.626 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.84 -42.4 97.7 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.08 0.552 . . . . 0.0 111.68 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 mt -52.52 -52.94 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.534 1.534 . . . . 0.0 109.914 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -54.47 43.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.396 0.678 . . . . 0.0 110.886 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.33 -38.5 66.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.102 1.761 . . . . 0.0 113.069 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.0 -42.31 85.21 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.702 1.201 . . . . 0.0 111.973 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.421 HD11 HG13 ' A' ' 65' ' ' ILE . 23.3 mm -64.37 -47.55 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.266 1.826 . . . . 0.0 110.48 172.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -32.08 69.37 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.315 0.646 . . . . 0.0 110.563 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.5 -45.4 90.9 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.405 1.482 . . . . 0.0 111.905 169.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.89 82.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 172.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.51 -35.54 81.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.447 1.099 . . . . 0.0 111.687 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -59.47 -21.12 59.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.485 1.514 . . . . 0.0 114.466 170.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 tttp . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 126.567 1.947 . . . . 0.0 112.894 177.246 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 121.422 0.63 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.11 123.53 15.58 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.398 1.079 . . . . 0.0 110.196 159.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -142.81 106.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.376 1.871 . . . . 0.0 109.092 -165.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -116.1 139.48 50.26 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.918 1.687 . . . . 0.0 112.566 -173.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -137.85 169.8 17.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.008 2.123 . . . . 0.0 111.703 -171.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.05 81.75 2.02 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.848 1.659 . . . . 0.0 111.001 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -79.62 -178.97 6.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.102 2.161 . . . . 0.0 112.464 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 m -143.41 167.43 22.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.095 1.358 . . . . 0.0 110.71 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.06 -57.13 6.22 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.405 1.482 . . . . 0.0 113.112 -161.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.32 -49.77 76.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.781 1.232 . . . . 0.0 112.809 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -62.53 -37.74 87.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.303 1.041 . . . . 0.0 112.016 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -67.92 -53.11 28.89 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.987 0.915 . . . . 0.0 111.303 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -33.62 75.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.582 1.153 . . . . 0.0 113.492 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -38.36 87.65 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.316 0.962 . . . . 0.0 111.914 169.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -36.08 61.01 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.09 -36.98 85.39 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.813 171.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.96 -37.66 87.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.359 1.464 . . . . 0.0 112.04 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 44.7 mtm -71.1 -44.35 65.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.51 0.724 . . . . 0.0 111.679 170.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.52 74.98 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.876 0.87 . . . . 0.0 113.331 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.52 -26.41 61.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.791 1.236 . . . . 0.0 113.885 174.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -82.54 -4.91 58.34 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.697 1.599 . . . . 0.0 113.324 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.79 0.93 6.72 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.324 2.649 . . . . 0.0 112.66 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 93.65 45.64 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.807 2.843 . . . . 0.0 113.991 170.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 47.83 78.38 0.08 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 128.104 2.562 . . . . 0.0 115.12 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -127.7 42.26 3.35 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.359 1.864 . . . . 0.0 110.508 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.18 -43.26 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.964 1.306 . . . . 0.0 113.512 -163.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -59.52 -39.31 94.81 Favored Glycine 0 N--CA 1.477 1.414 0 C-N-CA 124.682 1.134 . . . . 0.0 113.883 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -77.28 -35.83 54.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.308 1.043 . . . . 0.0 112.164 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.12 -42.32 98.32 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.59 -0.694 . . . . 0.0 111.517 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.408 HD12 ' HA2' ' A' ' 58' ' ' GLY . 21.1 mt -51.66 -57.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.97 1.308 . . . . 0.0 109.831 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.57 -47.67 84.66 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.536 0.684 . . . . 0.0 111.152 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -62.84 -30.15 71.28 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.914 -1.116 . . . . 0.0 113.39 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.79 -36.48 70.32 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.171 1.351 . . . . 0.0 113.035 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.89 -45.72 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.395 1.478 . . . . 0.0 109.822 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -36.07 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.673 0.789 . . . . 0.0 111.385 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -61.24 -41.22 96.51 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.872 1.269 . . . . 0.0 111.463 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.68 72.13 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 170.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.89 -26.61 68.68 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.911 1.684 . . . . 0.0 113.275 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.65 -22.99 58.22 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.385 1.074 . . . . 0.0 113.811 172.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -156.18 51.61 0.53 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.165 1.386 . . . . 0.0 113.522 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.3 mt -45.45 -43.42 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.114 1.366 . . . . 0.0 113.731 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.673 1.989 . . . . 0.0 110.88 177.615 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -103.86 107.53 18.45 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.544 1.138 . . . . 0.0 112.228 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.03 131.12 47.56 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.269 1.027 . . . . 0.0 111.021 168.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.83 103.55 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 127.213 2.205 . . . . 0.0 109.32 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -125.4 137.79 54.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.47 178.09 7.56 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 126.949 2.099 . . . . 0.0 112.441 -174.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -137.01 88.02 2.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.834 2.054 . . . . 0.0 109.631 -167.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.81 -177.61 2.87 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.252 1.021 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -130.95 167.47 18.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.735 0.814 . . . . 0.0 111.169 163.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -51.23 -43.36 61.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -165.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.98 -49.97 72.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.056 0.942 . . . . 0.0 112.616 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.78 -44.05 97.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.139 1.375 . . . . 0.0 111.56 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.54 -39.63 94.11 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.503 -0.748 . . . . 0.0 111.611 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.45 -40.45 81.07 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.543 1.137 . . . . 0.0 112.669 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.08 94.39 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.875 0.762 . . . . 0.0 112.153 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.59 -43.23 90.33 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.793 -0.567 . . . . 0.0 112.167 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.44 -38.33 83.79 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.066 0.947 . . . . 0.0 113.311 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -37.83 88.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.053 0.941 . . . . 0.0 112.048 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtm -72.99 -45.32 58.56 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.077 0.951 . . . . 0.0 111.685 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.58 79.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.89 0.876 . . . . 0.0 112.905 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -58.6 -27.54 64.76 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.013 -1.055 . . . . 0.0 113.658 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.49 -21.8 59.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.444 1.498 . . . . 0.0 113.325 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.16 -5.73 25.23 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.135 2.174 . . . . 0.0 113.061 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 98.54 42.42 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 129.728 3.211 . . . . 0.0 113.37 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 57.64 72.53 0.51 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.321 2.648 . . . . 0.0 114.042 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 71.5 p -113.66 26.82 10.05 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.692 2.397 . . . . 0.0 112.176 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.93 -45.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -153.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.92 -40.64 98.65 Favored Glycine 0 N--CA 1.475 1.267 0 O-C-N 121.356 -0.84 . . . . 0.0 113.568 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.6 m -71.87 -35.78 69.91 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.515 -0.991 . . . . 0.0 112.051 172.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.93 -41.73 96.77 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.323 0.649 . . . . 0.0 112.07 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.53 -47.32 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.081 1.352 . . . . 0.0 110.099 176.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.82 -47.23 75.74 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 112.137 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -55.94 -38.56 70.47 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.968 -1.083 . . . . 0.0 112.887 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.61 -40.29 80.45 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.292 0.951 . . . . 0.0 112.257 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.53 -50.24 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.805 1.242 . . . . 0.0 109.651 170.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.71 -34.63 78.28 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.396 0.678 . . . . 0.0 110.847 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.13 -46.53 83.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.935 1.294 . . . . 0.0 111.555 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.35 62.83 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.77 -14.22 61.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.142 1.377 . . . . 0.0 112.978 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -59.59 -21.14 59.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.628 1.171 . . . . 0.0 113.753 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 125.212 1.405 . . . . 0.0 114.542 170.441 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 121.813 0.816 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 127.59 32.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.421 1.489 . . . . 0.0 110.898 168.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.2 t -139.73 110.81 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.95 1.7 . . . . 0.0 109.697 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.2 t -112.49 120.5 41.84 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.961 2.105 . . . . 0.0 111.642 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.36 168.15 19.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.476 1.911 . . . . 0.0 112.339 -170.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -127.69 90.94 3.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.42 1.888 . . . . 0.0 110.623 -169.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -83.75 176.97 8.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.921 2.089 . . . . 0.0 111.882 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -133.0 168.63 18.14 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.725 0.81 . . . . 0.0 112.087 173.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -56.74 -43.07 80.35 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.95 1.3 . . . . 0.0 112.994 -159.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.2 -56.31 22.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.172 0.989 . . . . 0.0 111.934 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -59.37 -39.83 84.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.86 1.264 . . . . 0.0 111.539 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.48 -52.84 59.66 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.021 1.329 . . . . 0.0 111.199 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.03 -40.39 95.54 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.921 1.289 . . . . 0.0 112.387 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -41.56 91.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.335 0.654 . . . . 0.0 111.6 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.23 -31.96 62.8 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -65.08 -37.98 89.28 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -41.75 88.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.979 0.912 . . . . 0.0 111.37 175.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.1 mtm -72.22 -39.37 68.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.905 1.282 . . . . 0.0 112.536 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.51 66.44 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.724 1.21 . . . . 0.0 113.603 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.86 -28.1 65.78 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.799 1.181 . . . . 0.0 113.161 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.36 -28.43 64.05 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.836 1.254 . . . . 0.0 112.208 172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -90.48 3.63 53.38 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.156 1.783 . . . . 0.0 111.928 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . 0.252 0.4 OUTLIER 64.06 54.41 1.68 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.25 2.62 . . . . 0.0 113.422 -177.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 56.66 84.55 0.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.683 2.793 . . . . 0.0 113.945 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -140.72 37.6 1.82 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 127.297 2.239 . . . . 0.0 111.03 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -47.12 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 126.06 1.744 . . . . 0.0 114.644 -170.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.35 93.96 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.242 0.925 . . . . 0.0 113.08 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -75.96 -38.88 57.04 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.37 1.468 . . . . 0.0 112.116 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -61.64 -43.87 98.05 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.934 0.788 . . . . 0.0 110.95 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.6 mt -51.22 -54.69 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.683 1.193 . . . . 0.0 109.246 173.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.02 -57.05 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -51.74 -34.7 40.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.458 2.303 . . . . 0.0 113.817 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -64.08 -40.42 96.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.809 1.244 . . . . 0.0 112.535 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.81 -43.26 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.061 1.744 . . . . 0.0 110.276 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -66.87 -37.99 85.47 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.74 0.7 . . . . 0.0 110.983 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.54 -43.34 94.3 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.143 1.777 . . . . 0.0 111.393 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.4 75.93 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.545 0.738 . . . . 0.0 112.829 171.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.5 -27.32 69.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.918 1.687 . . . . 0.0 112.945 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -58.44 -27.52 64.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.791 1.236 . . . . 0.0 113.052 174.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -154.95 67.57 0.68 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.598 1.959 . . . . 0.0 112.483 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.52 -49.3 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.685 1.194 . . . . 0.0 112.687 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.82 1.648 . . . . 0.0 112.921 177.776 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -85.03 163.89 18.58 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.989 0.916 . . . . 0.0 110.807 170.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.68 126.02 39.24 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.598 . . . . 0.0 110.492 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.57 90.74 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.437 1.895 . . . . 0.0 108.744 -177.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -111.59 116.77 31.38 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.313 1.045 . . . . 0.0 111.533 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.13 178.06 7.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.273 1.429 . . . . 0.0 113.096 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -137.23 92.97 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.984 -167.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -76.28 176.03 8.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.583 1.553 . . . . 0.0 111.368 166.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -127.42 173.67 9.63 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.816 0.846 . . . . 0.0 110.622 162.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.27 -28.62 69.85 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -159.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.44 -53.94 44.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 111.936 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.0 -46.47 85.19 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.841 1.256 . . . . 0.0 110.779 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.36 -39.23 93.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.571 0.748 . . . . 0.0 111.887 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -44.25 89.28 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.477 1.111 . . . . 0.0 111.806 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -60.72 -40.63 93.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.614 0.766 . . . . 0.0 112.525 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.6 -44.39 86.76 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.586 0.63 . . . . 0.0 111.768 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.74 -39.14 83.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -63.0 -36.05 82.26 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.024 1.329 . . . . 0.0 112.581 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.6 mtm -72.91 -47.86 42.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.557 1.143 . . . . 0.0 111.339 169.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.428 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -60.57 -28.55 68.55 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 124.87 1.268 . . . . 0.0 113.242 -176.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -57.37 -28.48 63.21 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.792 1.178 . . . . 0.0 113.139 172.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -70.33 -31.19 68.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.303 1.041 . . . . 0.0 112.36 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -88.75 1.68 54.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.987 2.115 . . . . 0.0 112.5 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 74.99 46.88 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.49 2.716 . . . . 0.0 113.278 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.67 85.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.83 3.252 . . . . 0.0 114.592 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.428 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 78.4 p -124.77 28.27 6.56 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.418 2.687 . . . . 0.0 112.361 -175.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -44.8 -49.42 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 126.246 1.819 . . . . 0.0 115.227 -155.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.14 -42.16 98.44 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.109 0.868 . . . . 0.0 113.328 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 38.3 m -68.99 -36.96 78.43 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.445 -1.033 . . . . 0.0 111.764 171.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.6 -40.4 94.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.562 0.619 . . . . 0.0 112.195 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.77 -51.18 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.467 1.507 . . . . 0.0 109.246 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -57.75 -58.46 8.28 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.373 0.269 . . . . 0.0 110.898 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -49.42 -37.53 25.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.76 2.424 . . . . 0.0 113.156 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.91 -38.38 72.98 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.049 1.34 . . . . 0.0 113.073 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.1 mm -55.0 -50.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.365 1.466 . . . . 0.0 108.662 168.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.1 -36.23 77.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.067 0.547 . . . . 0.0 110.845 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.33 -39.52 93.33 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.276 1.83 . . . . 0.0 112.181 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.5 73.83 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.945 0.898 . . . . 0.0 112.803 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -66.49 -22.64 66.19 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.986 1.714 . . . . 0.0 113.733 -174.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -52.1 -35.08 46.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.414 1.086 . . . . 0.0 113.215 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 N--CA 1.47 0.575 0 C-N-CA 127.15 2.18 . . . . 0.0 110.695 176.34 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 . . . . . 0 N--CA 1.47 0.575 0 CA-C-O 122.159 0.981 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.63 117.68 3.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.518 2.327 . . . . 0.0 111.553 160.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.411 HG11 HD13 ' B' ' 61' ' ' ILE . 53.4 t -141.12 99.2 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.604 1.562 . . . . 0.0 109.779 -174.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -114.29 118.98 35.44 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.899 1.28 . . . . 0.0 112.459 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -122.8 169.47 11.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.017 2.127 . . . . 0.0 111.949 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -128.81 80.45 1.97 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.068 1.747 . . . . 0.0 110.184 -165.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.05 168.65 19.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.213 1.805 . . . . 0.0 110.488 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -95.16 169.07 10.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.541 -0.725 . . . . 0.0 112.275 169.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -53.48 -41.67 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.247 0.619 . . . . 0.0 111.485 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.28 -55.25 34.02 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.511 1.125 . . . . 0.0 112.185 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -57.93 -41.57 83.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.056 0.142 . . . . 0.0 110.909 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.57 -47.12 82.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.108 0.963 . . . . 0.0 112.626 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -36.25 83.7 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.381 0.673 . . . . 0.0 112.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.96 -41.21 91.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.566 1.076 . . . . 0.0 111.855 169.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.53 -43.76 89.02 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.07 -43.65 87.06 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.257 0.935 . . . . 0.0 112.446 171.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.52 -26.78 66.5 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.301 -0.874 . . . . 0.0 112.806 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.71 -49.85 23.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 163.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -58.61 -27.95 65.15 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.818 1.647 . . . . 0.0 113.993 -177.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.14 -26.14 64.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.484 1.038 . . . . 0.0 113.07 171.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.04 -29.89 68.12 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.179 -0.95 . . . . 0.0 112.663 172.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -93.24 1.95 56.83 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.693 1.997 . . . . 0.0 112.161 171.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 70.93 49.44 0.36 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.414 2.686 . . . . 0.0 112.977 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 64.42 104.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 130.175 3.39 . . . . 0.0 114.702 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.519 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 61.8 p -148.09 24.47 1.04 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.265 2.226 . . . . 0.0 112.113 -171.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.02 122.32 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.247 1.019 . . . . 0.0 110.489 -171.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . 116.71 -58.57 0.48 Allowed Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.123 1.344 . . . . 0.0 110.909 -171.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -64.12 -44.07 93.38 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.626 0.77 . . . . 0.0 110.949 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -55.37 -42.37 73.86 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.494 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' A' ' 58' ' ' GLY . 50.9 mt -58.34 -53.1 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.874 1.27 . . . . 0.0 109.466 178.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -59.68 -50.36 74.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.915 0.388 . . . . 0.0 110.573 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -55.35 -36.82 66.73 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.759 1.623 . . . . 0.0 112.494 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -69.8 -43.72 71.49 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.411 1.084 . . . . 0.0 112.792 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.56 -41.97 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.824 1.249 . . . . 0.0 109.985 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.58 -38.3 77.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.498 1.119 . . . . 0.0 110.745 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -61.32 -43.35 99.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.555 1.542 . . . . 0.0 111.67 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.12 86.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.247 1.019 . . . . 0.0 112.643 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -29.03 69.99 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.22 1.408 . . . . 0.0 112.562 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -29.57 64.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.685 1.594 . . . . 0.0 114.162 171.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -158.3 58.37 0.46 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.148 1.779 . . . . 0.0 113.435 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.96 -50.91 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.099 0.96 . . . . 0.0 111.945 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.726 1.61 . . . . 0.0 113.332 175.353 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.592 0.234 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.93 173.59 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.578 1.551 . . . . 0.0 111.616 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.96 117.41 21.68 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.209 1.404 . . . . 0.0 111.234 -175.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.411 HG13 HD13 ' A' ' 61' ' ' ILE . 45.9 t -126.03 90.11 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.608 1.963 . . . . 0.0 109.093 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 17.5 t -109.57 126.35 53.5 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.64 0.776 . . . . 0.0 111.491 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -120.64 163.0 18.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.514 1.926 . . . . 0.0 111.372 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -127.02 81.05 1.99 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.747 2.019 . . . . 0.0 108.91 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.31 178.63 5.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.595 1.558 . . . . 0.0 111.549 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -138.49 -179.73 5.98 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.535 1.134 . . . . 0.0 110.836 168.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -52.52 -53.14 49.98 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.02 1.328 . . . . 0.0 113.168 -164.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.98 -51.95 67.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.412 1.085 . . . . 0.0 112.649 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -56.28 -48.41 76.67 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.536 1.534 . . . . 0.0 111.105 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -67.18 -40.18 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.683 0.793 . . . . 0.0 111.895 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.49 -45.08 85.0 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.504 1.122 . . . . 0.0 112.582 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -40.79 94.81 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.794 0.724 . . . . 0.0 111.799 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.494 HD13 ' CG1' ' B' ' 61' ' ' ILE . 0.6 OUTLIER -67.14 -39.52 86.57 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.102 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.95 -40.2 94.72 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.354 -0.842 . . . . 0.0 112.679 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.79 -38.13 84.29 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.373 1.069 . . . . 0.0 111.732 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mtm -66.77 -44.75 80.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.016 1.327 . . . . 0.0 112.289 168.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.497 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.84 -20.68 58.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.488 1.515 . . . . 0.0 114.579 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.66 -26.56 63.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.581 1.082 . . . . 0.0 113.396 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -70.75 -30.61 67.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.394 1.078 . . . . 0.0 112.474 172.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.3 2.73 46.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.826 1.65 . . . . 0.0 112.261 169.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 66.07 48.78 1.67 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.574 2.35 . . . . 0.0 112.296 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 62.38 99.34 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 129.207 3.003 . . . . 0.0 113.923 -172.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.497 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 3.1 t -146.02 39.84 1.13 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.1 1.36 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.45 116.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.778 1.231 . . . . 0.0 110.133 -173.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLY . . . . . 0.423 ' HA2' HD12 ' B' ' 61' ' ' ILE . . . 122.81 -58.87 0.6 Allowed Glycine 0 N--CA 1.471 1.012 0 C-N-CA 125.227 1.394 . . . . 0.0 110.676 -170.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -63.13 -38.36 90.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.352 -1.087 . . . . 0.0 111.184 171.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -40.55 87.68 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.576 0.751 . . . . 0.0 112.841 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.494 ' CG1' HD13 ' B' ' 46' ' ' LEU . 6.5 mt -56.72 -52.09 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.015 1.326 . . . . 0.0 110.144 175.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -58.03 10.08 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 110.423 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -55.92 -36.21 67.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.184 1.794 . . . . 0.0 112.105 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -63.49 -49.2 74.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.513 1.052 . . . . 0.0 111.968 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.2 mm -64.07 -43.79 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 126.149 1.78 . . . . 0.0 110.517 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.65 -32.66 70.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.085 0.954 . . . . 0.0 110.703 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -68.37 -46.96 68.64 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.507 1.523 . . . . 0.0 111.694 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.08 73.29 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.193 0.997 . . . . 0.0 112.391 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.55 -27.14 68.4 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.66 1.584 . . . . 0.0 113.184 -177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -59.2 -39.87 83.97 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.301 1.04 . . . . 0.0 112.63 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? . . . . . 0 N--CA 1.476 0.841 0 C-N-CA 126.595 1.958 . . . . 0.0 112.706 171.612 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.634 0.254 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 132.59 54.31 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.403 0.681 . . . . 0.0 111.216 170.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.4 95.24 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.718 2.007 . . . . 0.0 108.389 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -115.49 109.25 17.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.413 1.485 . . . . 0.0 110.573 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.6 163.17 23.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.585 1.154 . . . . 0.0 112.94 -164.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -126.76 79.04 1.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.796 1.638 . . . . 0.0 110.243 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 32.6 m-85 -77.35 166.3 23.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.541 1.936 . . . . 0.0 111.374 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -122.51 172.34 8.44 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.293 0.637 . . . . 0.0 111.596 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -53.85 -54.12 42.99 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.757 1.223 . . . . 0.0 112.776 -160.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.28 -53.21 59.93 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.026 0.93 . . . . 0.0 112.745 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -58.49 -41.38 85.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.092 0.957 . . . . 0.0 111.0 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.53 -49.16 51.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.722 0.809 . . . . 0.0 112.437 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.847 1.259 . . . . 0.0 112.687 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.03 98.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.616 -0.677 . . . . 0.0 110.706 171.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.31 -33.17 75.13 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.0 -41.23 95.58 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.3 -0.875 . . . . 0.0 112.165 171.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -63.56 -36.56 84.18 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.051 0.94 . . . . 0.0 112.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.0 mtp -69.09 -47.14 65.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.875 1.67 . . . . 0.0 111.362 171.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -61.67 -25.3 67.31 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 126.342 1.857 . . . . 0.0 113.8 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -58.1 -25.62 61.58 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.585 1.084 . . . . 0.0 112.877 170.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -75.1 -25.4 58.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.01 0.924 . . . . 0.0 113.438 172.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -87.09 1.03 54.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.206 1.802 . . . . 0.0 112.017 166.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 73.8 44.65 0.27 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.245 2.618 . . . . 0.0 112.473 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 59.3 91.4 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 129.747 3.219 . . . . 0.0 113.424 -175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 7.5 t -140.72 40.05 1.85 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.808 2.043 . . . . 0.0 110.005 -176.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.63 138.09 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.754 1.222 . . . . 0.0 111.439 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.48 -54.02 1.75 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 125.381 1.467 . . . . 0.0 110.637 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.6 t -62.9 -39.78 95.56 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.191 -1.182 . . . . 0.0 111.085 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.92 -38.6 70.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.329 1.052 . . . . 0.0 112.768 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.53 -54.68 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 124.271 1.028 . . . . 0.0 109.679 173.822 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -63.69 -49.67 72.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.96 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -48.19 -43.21 31.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.196 1.398 . . . . 0.0 111.636 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -38.31 56.45 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.3 -42.81 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.403 1.081 . . . . 0.0 109.913 170.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -38.75 78.67 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 109.837 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.74 -39.79 92.81 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.315 1.446 . . . . 0.0 112.561 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.67 71.15 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.103 0.961 . . . . 0.0 111.152 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.62 -27.41 69.22 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.74 1.616 . . . . 0.0 113.653 -172.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -57.39 -33.98 68.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.322 1.049 . . . . 0.0 113.279 170.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -158.39 67.58 0.46 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.613 1.565 . . . . 0.0 112.94 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.07 -49.71 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.793 0.837 . . . . 0.0 112.229 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.981 1.712 . . . . 0.0 113.273 -176.738 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 121.366 0.603 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.19 166.17 13.09 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.402 1.881 . . . . 0.0 110.885 173.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.93 118.63 16.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.12 1.368 . . . . 0.0 110.784 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 t -133.59 90.09 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.239 1.416 . . . . 0.0 110.266 -165.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 26.4 t -101.09 118.76 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.993 1.717 . . . . 0.0 112.929 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -125.24 172.77 9.28 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.366 2.267 . . . . 0.0 112.284 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -130.85 90.53 2.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.082 2.153 . . . . 0.0 109.967 -177.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -77.55 174.25 11.09 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 126.486 1.914 . . . . 0.0 111.576 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.5 p -115.41 172.72 6.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.149 0.98 . . . . 0.0 113.622 168.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.53 -44.24 65.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.303 1.441 . . . . 0.0 111.81 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.86 -55.75 23.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.905 1.282 . . . . 0.0 112.082 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -56.9 -38.5 72.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.475 1.91 . . . . 0.0 112.161 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.61 -48.11 42.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.81 1.244 . . . . 0.0 111.601 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.44 -40.57 97.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.559 1.144 . . . . 0.0 112.93 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -57.74 -42.36 83.73 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.086 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.403 HD13 HG12 ' B' ' 61' ' ' ILE . 4.8 mt -81.33 -23.95 37.46 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.85 -41.56 95.6 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.367 -0.833 . . . . 0.0 112.596 169.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.46 -40.1 81.74 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.764 1.226 . . . . 0.0 111.698 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 82.7 mtp -73.51 -40.18 64.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.025 1.73 . . . . 0.0 112.713 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.87 -27.36 65.1 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 113.175 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -58.2 -25.25 61.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.297 -0.877 . . . . 0.0 113.279 171.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.94 -25.26 61.81 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.217 1.007 . . . . 0.0 113.372 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.03 -3.11 51.93 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.603 1.561 . . . . 0.0 112.226 168.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 77.43 50.0 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.628 2.771 . . . . 0.0 112.212 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.9 100.59 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.927 3.291 . . . . 0.0 114.205 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.54 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 96.8 p -143.65 30.76 1.33 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.712 2.405 . . . . 0.0 110.769 -175.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.75 139.28 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.246 -0.909 . . . . 0.0 111.312 -175.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.75 -52.27 2.63 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.963 1.268 . . . . 0.0 110.983 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -64.53 -43.74 93.04 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.979 -0.719 . . . . 0.0 110.521 171.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -38.28 86.89 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.583 -0.698 . . . . 0.0 112.7 174.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.403 HG12 HD13 ' B' ' 46' ' ' LEU . 89.1 mt -57.23 -48.8 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 109.133 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -59.75 -52.88 63.59 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.006 0.522 . . . . 0.0 112.006 174.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -50.93 -44.46 60.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.963 1.705 . . . . 0.0 112.008 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -64.11 -44.21 92.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.298 1.047 . . . . 0.0 111.838 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.69 -51.83 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.84 1.656 . . . . 0.0 110.242 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.61 -19.48 60.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -72.71 -45.17 60.14 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 127.572 2.349 . . . . 0.0 111.582 168.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.8 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.103 0.961 . . . . 0.0 112.169 174.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.1 -39.43 66.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.773 2.029 . . . . 0.0 111.67 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -60.52 -18.98 55.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 114.168 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 126.468 1.907 . . . . 0.0 113.288 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 121.695 0.759 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 129.35 41.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.396 1.078 . . . . 0.0 111.722 170.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -145.2 112.7 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.181 1.792 . . . . 0.0 109.221 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -122.53 140.82 52.34 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.836 1.255 . . . . 0.0 113.418 -168.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.93 164.12 27.65 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.033 -172.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -129.09 72.44 1.47 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.698 1.199 . . . . 0.0 110.546 -164.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -73.78 168.07 20.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.425 1.89 . . . . 0.0 112.95 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -95.15 163.97 13.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 123.494 0.718 . . . . 0.0 112.019 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.51 -49.25 46.64 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.407 0.683 . . . . 0.0 111.344 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.41 -60.0 4.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 113.347 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.98 -30.65 71.08 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -70.3 -50.29 40.85 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.935 -1.103 . . . . 0.0 113.017 172.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.02 -33.89 75.2 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.408 0.683 . . . . 0.0 112.325 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -34.47 72.24 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.098 1.359 . . . . 0.0 112.995 169.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -47.68 47.86 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.721 1.146 . . . . 0.0 112.458 164.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.99 -36.68 70.64 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.363 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.28 -39.07 89.16 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 0.0 111.99 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 23.3 ttp -72.5 -43.62 63.37 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.11 1.364 . . . . 0.0 112.246 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.42 -28.37 66.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.798 2.039 . . . . 0.0 114.186 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.96 -22.57 60.41 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -70.66 -31.87 68.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.729 1.212 . . . . 0.0 113.573 171.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.42 -0.91 57.7 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.228 2.211 . . . . 0.0 113.168 169.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 73.7 45.67 0.23 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.899 2.48 . . . . 0.0 112.857 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 65.27 102.78 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 129.371 3.068 . . . . 0.0 114.457 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.473 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 92.9 p -143.47 36.94 1.34 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.421 2.288 . . . . 0.0 110.615 -177.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.43 126.59 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 120.77 -1.206 . . . . 0.0 111.678 -169.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.32 -44.0 2.33 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 125.759 1.647 . . . . 0.0 112.218 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.1 m -66.34 -33.33 75.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.204 -1.174 . . . . 0.0 111.903 168.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 49' ' ' MET . 1.4 t80 -60.6 -41.78 95.45 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.435 -0.791 . . . . 0.0 112.065 170.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -48.71 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.007 0.923 . . . . 0.0 109.508 173.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -63.73 -47.35 81.41 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -55.85 -40.31 72.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.348 1.059 . . . . 0.0 112.809 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -38.68 87.07 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.281 1.032 . . . . 0.0 112.385 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.471 HG21 HD11 ' B' ' 46' ' ' LEU . 7.4 mm -77.55 -35.22 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.572 1.149 . . . . 0.0 111.696 177.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -34.94 78.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 110.628 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.73 -45.33 86.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 112.204 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.71 87.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.894 0.878 . . . . 0.0 112.988 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.33 -16.3 63.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.798 1.639 . . . . 0.0 113.892 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -59.64 -28.97 67.7 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -159.79 48.02 0.28 Allowed 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -168.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.5 mm -49.71 -37.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 124.624 1.17 . . . . 0.0 113.486 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 N--CA 1.483 1.199 0 C-N-CA 128.603 2.761 . . . . 0.0 113.982 177.427 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 123.197 1.475 . . . . 0.0 114.35 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -86.09 101.4 12.92 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.736 -1.574 . . . . 0.0 111.38 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 122.58 14.78 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.125 0.97 . . . . 0.0 111.168 169.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.5 88.65 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.245 2.218 . . . . 0.0 108.515 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 18.3 t -101.45 135.75 42.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.111 0.964 . . . . 0.0 112.241 -177.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.1 mt -125.79 156.57 39.29 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.54 1.936 . . . . 0.0 110.141 -170.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.04 80.23 1.88 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.148 1.379 . . . . 0.0 110.035 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -70.39 176.96 3.63 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.876 1.27 . . . . 0.0 111.483 166.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -126.44 178.71 5.69 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.709 0.804 . . . . 0.0 110.063 156.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -45.73 -47.82 15.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.469 1.507 . . . . 0.0 114.481 -160.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.83 -55.64 27.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.028 0.931 . . . . 0.0 112.442 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.93 -36.26 82.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.634 1.174 . . . . 0.0 112.884 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -64.36 -47.42 79.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.35 1.06 . . . . 0.0 111.709 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.46 -35.97 81.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.314 1.045 . . . . 0.0 112.782 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -57.88 -43.49 86.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.094 1.357 . . . . 0.0 111.981 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.507 HD13 HG12 ' B' ' 61' ' ' ILE . 10.2 mt -75.53 -31.76 60.23 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.0 -38.62 91.55 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 170.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -37.48 87.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.296 1.038 . . . . 0.0 111.455 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.57 -48.07 76.37 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.796 1.238 . . . . 0.0 111.706 168.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -32.17 71.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.274 1.03 . . . . 0.0 113.426 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.25 -21.97 50.45 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.16 1.384 . . . . 0.0 113.522 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.49 -26.85 63.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.612 1.165 . . . . 0.0 113.456 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -99.61 -18.57 17.26 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.54 1.936 . . . . 0.0 112.996 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . 0.253 19.1 tt0 114.21 54.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 131.227 3.811 . . . . 0.0 112.25 168.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.267 9.0 pt-20 48.1 70.43 0.44 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.692 2.397 . . . . 0.0 114.328 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.3 t -132.52 49.16 2.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.581 1.952 . . . . 0.0 108.958 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.73 129.2 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.716 1.206 . . . . 0.0 111.864 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.75 -55.06 0.67 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 126.103 1.811 . . . . 0.0 110.318 -170.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.9 m -70.91 -42.58 69.74 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.477 -1.013 . . . . 0.0 112.773 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.46 -42.28 98.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.298 1.046 . . . . 0.0 111.717 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.507 HG12 HD13 ' B' ' 46' ' ' LEU . 27.8 mt -57.49 -49.64 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 127.826 2.451 . . . . 0.0 110.171 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -60.19 -53.59 55.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.952 0.501 . . . . 0.0 111.209 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -50.18 -41.12 48.75 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.401 1.08 . . . . 0.0 112.416 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.14 -39.78 65.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.958 0.903 . . . . 0.0 113.347 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.61 -46.68 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.394 1.078 . . . . 0.0 109.796 170.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -32.76 70.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.398 0.679 . . . . 0.0 110.378 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.79 -42.04 99.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.555 1.142 . . . . 0.0 112.352 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.4 83.42 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 171.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -22.2 61.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.164 1.386 . . . . 0.0 113.392 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -58.82 -22.62 59.0 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 165.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 CA--C 1.554 1.127 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -171.109 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.27 125.19 28.72 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.285 1.034 . . . . 0.0 111.124 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.36 87.84 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.701 1.6 . . . . 0.0 109.043 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 t -110.41 119.63 39.83 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.88 1.272 . . . . 0.0 112.743 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -131.15 168.02 18.15 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.569 2.347 . . . . 0.0 111.663 -172.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -128.59 88.4 2.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.939 2.096 . . . . 0.0 110.049 -171.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -70.57 168.15 16.97 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.3 1.44 . . . . 0.0 111.973 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -106.96 160.94 15.16 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.523 0.729 . . . . 0.0 111.172 170.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -52.23 -48.59 65.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.176 0.99 . . . . 0.0 113.117 -170.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.51 -49.12 79.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.932 0.893 . . . . 0.0 112.298 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.02 -45.03 94.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.041 1.336 . . . . 0.0 110.876 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.79 -47.99 78.7 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.453 1.501 . . . . 0.0 111.71 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.32 -40.44 96.34 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.707 1.203 . . . . 0.0 112.264 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.17 -41.77 89.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.34 0.973 . . . . 0.0 112.01 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.24 -43.36 78.08 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.09 -39.0 88.29 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.566 -0.709 . . . . 0.0 112.73 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.76 -39.86 90.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.032 1.333 . . . . 0.0 111.72 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.2 mtm -71.22 -44.21 65.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.499 1.12 . . . . 0.0 112.111 172.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.81 -30.39 68.88 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.898 1.279 . . . . 0.0 113.397 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.83 -28.11 61.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.092 0.86 . . . . 0.0 113.058 171.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.41 -26.69 61.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.412 1.085 . . . . 0.0 113.257 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -90.54 -0.65 57.75 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.162 1.785 . . . . 0.0 112.762 168.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 74.92 52.76 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 128.059 2.544 . . . . 0.0 112.448 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 59.08 84.07 0.12 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.215 3.006 . . . . 0.0 114.311 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.435 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 88.7 p -123.89 18.47 9.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.088 2.555 . . . . 0.0 113.442 -174.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 t -40.43 -55.0 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.767 . . . . 0.0 115.749 -152.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.39 94.81 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-N 119.059 0.845 . . . . 0.0 113.467 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.8 m -69.02 -38.31 79.13 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.238 -1.154 . . . . 0.0 111.585 170.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.23 -44.83 88.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 111.292 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.71 -61.59 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.856 1.662 . . . . 0.0 109.194 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -54.24 -50.81 66.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.801 0.84 . . . . 0.0 112.158 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.98 -37.34 74.05 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.717 0.807 . . . . 0.0 112.865 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.91 -43.81 82.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.681 1.128 . . . . 0.0 112.061 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.481 HD13 HG12 ' B' ' 61' ' ' ILE . 6.1 mt -61.47 -40.81 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.876 1.67 . . . . 0.0 110.765 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -34.46 71.09 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.749 0.819 . . . . 0.0 111.062 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.97 -39.32 93.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.016 1.326 . . . . 0.0 111.91 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.86 84.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.401 0.68 . . . . 0.0 112.453 168.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.65 -34.11 75.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.97 1.308 . . . . 0.0 111.672 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -56.85 -21.52 29.78 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.985 1.714 . . . . 0.0 114.566 171.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -108.17 -29.45 8.92 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.229 1.812 . . . . 0.0 113.877 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.0 -43.72 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.663 1.185 . . . . 0.0 111.118 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.258 1.823 . . . . 0.0 113.112 176.393 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -83.98 167.37 16.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.901 1.68 . . . . 0.0 110.906 175.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.76 112.01 15.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.261 1.425 . . . . 0.0 111.027 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 90.15 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.329 1.852 . . . . 0.0 109.267 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -120.04 116.59 26.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.526 1.13 . . . . 0.0 112.438 -174.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -113.38 161.67 17.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.655 1.582 . . . . 0.0 111.178 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.0 80.22 1.42 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.87 1.668 . . . . 0.0 109.93 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' B' ' 61' ' ' ILE . 4.6 m-85 -75.16 177.36 6.52 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.205 1.802 . . . . 0.0 110.639 174.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -137.45 179.5 6.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.171 -0.956 . . . . 0.0 110.938 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -46.89 -53.3 12.47 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.536 1.534 . . . . 0.0 114.059 -167.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.18 -58.6 6.49 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.786 1.175 . . . . 0.0 113.084 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -56.27 -42.48 77.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.958 1.703 . . . . 0.0 111.722 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.65 -40.85 61.2 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.429 1.092 . . . . 0.0 112.732 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -35.92 74.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.989 0.916 . . . . 0.0 111.78 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -62.42 -40.46 96.64 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.984 0.914 . . . . 0.0 111.97 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.545 HD11 HG13 ' B' ' 61' ' ' ILE . 1.0 OUTLIER -60.02 -43.45 95.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 167.626 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.43 -38.04 85.72 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.994 0.816 . . . . 0.0 112.854 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -61.77 -41.87 98.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.44 1.496 . . . . 0.0 111.592 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.3 mtp -68.43 -48.2 65.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.934 2.094 . . . . 0.0 111.084 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.563 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -61.0 -30.55 70.35 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.431 1.893 . . . . 0.0 114.175 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -58.18 -29.99 66.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.774 1.17 . . . . 0.0 112.852 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -77.97 -14.02 59.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.462 1.105 . . . . 0.0 113.072 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -102.75 4.35 37.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.838 2.055 . . . . 0.0 111.601 166.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 63.64 58.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.59 2.356 . . . . 0.0 112.31 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 62.97 94.72 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.09 2.556 . . . . 0.0 114.331 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.563 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 5.6 t -138.95 39.04 2.15 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.386 2.674 . . . . 0.0 109.921 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.91 130.63 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.487 -1.383 . . . . 0.0 111.227 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.07 -43.62 3.26 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 125.461 1.505 . . . . 0.0 111.384 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -62.08 -34.75 76.87 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.237 -1.155 . . . . 0.0 111.401 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.05 -40.55 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.781 1.232 . . . . 0.0 112.419 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.545 HG13 HD11 ' B' ' 46' ' ' LEU . 0.1 OUTLIER -56.74 -49.49 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.556 1.542 . . . . 0.0 110.3 177.272 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -58.39 -57.75 11.53 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.147 0.979 . . . . 0.0 109.532 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.47 -43.16 7.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.864 2.065 . . . . 0.0 112.878 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -34.89 75.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.896 1.279 . . . . 0.0 113.954 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.05 -42.01 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 124.034 0.933 . . . . 0.0 110.101 168.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.73 -35.18 74.78 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.368 -0.833 . . . . 0.0 110.417 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.29 -47.53 85.61 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.335 2.254 . . . . 0.0 111.443 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.59 76.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.141 0.976 . . . . 0.0 113.212 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.55 -18.25 65.26 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.36 1.464 . . . . 0.0 113.707 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.65 -48.84 74.31 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.003 1.321 . . . . 0.0 112.127 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 N--CA 1.476 0.855 0 C-N-CA 127.281 2.232 . . . . 0.0 111.199 172.207 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 120.532 0.206 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.05 77.93 2.76 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.559 1.144 . . . . 0.0 111.259 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.68 139.52 50.11 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.203 1.001 . . . . 0.0 112.938 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.04 110.09 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.249 1.82 . . . . 0.0 109.752 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -114.84 123.62 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.861 1.664 . . . . 0.0 111.628 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -134.35 164.87 26.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.276 1.43 . . . . 0.0 113.079 -165.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -119.92 89.39 3.12 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.232 1.813 . . . . 0.0 110.613 -161.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.64 -177.72 4.01 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 128.923 2.889 . . . . 0.0 112.277 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -138.59 167.26 22.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.11 0.964 . . . . 0.0 112.712 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.89 -52.62 23.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.924 1.689 . . . . 0.0 113.686 -164.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -55.39 -53.21 59.11 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.802 1.241 . . . . 0.0 113.128 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.71 -37.51 79.08 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.138 0.975 . . . . 0.0 111.81 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -49.89 52.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.896 0.878 . . . . 0.0 112.591 173.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -33.56 75.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.844 1.258 . . . . 0.0 113.069 -175.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -62.62 -37.63 87.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.451 1.101 . . . . 0.0 112.145 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 HG12 ' A' ' 61' ' ' ILE . 1.2 mt -75.59 -34.58 60.64 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 172.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.0 -40.31 96.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.091 0.956 . . . . 0.0 113.089 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -64.51 -37.49 87.73 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.191 0.996 . . . . 0.0 111.958 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.9 mtm -67.87 -43.67 78.84 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.699 0.8 . . . . 0.0 111.714 170.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.99 -34.92 73.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -62.16 -23.64 66.71 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 173.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.92 -39.16 90.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 168.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.54 -4.93 51.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.634 1.974 . . . . 0.0 113.556 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 76.78 38.95 0.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.462 2.705 . . . . 0.0 113.109 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 78.91 111.09 0.07 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 129.829 3.252 . . . . 0.0 113.941 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.501 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 77.0 p -155.07 27.19 0.42 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.272 2.229 . . . . 0.0 111.242 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 t -54.87 131.12 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.785 1.234 . . . . 0.0 110.377 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -46.23 1.33 Allowed Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.669 1.128 . . . . 0.0 112.301 -171.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -78.68 -40.99 32.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.607 0.763 . . . . 0.0 112.207 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.08 -38.47 70.72 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 111.955 175.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 46' ' ' LEU . 5.0 mt -55.37 -56.56 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.645 1.578 . . . . 0.0 110.569 175.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -63.14 -44.89 94.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -55.61 -38.09 68.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.646 1.179 . . . . 0.0 112.335 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.18 -40.01 82.36 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 122.333 1.063 . . . . 0.0 112.917 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.1 mm -67.07 -40.34 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.161 1.385 . . . . 0.0 110.796 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -34.16 71.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.803 0.841 . . . . 0.0 111.065 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.44 -46.35 86.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.438 1.095 . . . . 0.0 111.415 170.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -31.54 72.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.925 0.89 . . . . 0.0 113.178 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.82 -22.84 66.58 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.549 1.54 . . . . 0.0 113.706 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.54 -25.04 67.83 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -157.78 50.1 0.42 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.287 1.035 . . . . 0.0 113.388 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.4 mt -48.24 -45.49 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.865 1.266 . . . . 0.0 113.579 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.855 1.662 . . . . 0.0 112.258 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.32 156.6 18.0 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.947 1.299 . . . . 0.0 112.55 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.92 111.37 15.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.527 1.131 . . . . 0.0 112.196 -157.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.63 92.74 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.221 1.808 . . . . 0.0 109.195 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -104.21 120.3 40.85 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.225 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mp -120.24 169.86 9.87 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.901 2.481 . . . . 0.0 110.675 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -140.67 77.34 1.6 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.643 1.977 . . . . 0.0 110.674 -173.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -74.47 178.45 5.27 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.21 1.404 . . . . 0.0 112.093 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -131.26 178.21 6.88 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.927 1.291 . . . . 0.0 110.733 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.09 -47.84 53.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.956 -169.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.19 -51.23 70.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.521 0.728 . . . . 0.0 112.468 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -59.05 -46.41 88.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.957 1.303 . . . . 0.0 111.344 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -69.57 -41.24 76.11 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.538 -0.726 . . . . 0.0 112.373 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.53 -34.76 70.32 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.507 -0.746 . . . . 0.0 112.67 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -65.9 -37.0 84.94 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.892 -1.13 . . . . 0.0 112.548 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.418 HD12 HG13 ' B' ' 61' ' ' ILE . 2.1 mm? -62.36 -44.33 96.73 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.595 -0.691 . . . . 0.0 112.639 165.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.59 -35.6 74.62 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.698 1.199 . . . . 0.0 113.516 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -63.74 -37.46 87.43 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.34 0.656 . . . . 0.0 112.514 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 72.8 mtm -74.76 -42.89 57.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.131 0.973 . . . . 0.0 112.153 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.13 84.28 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.675 0.79 . . . . 0.0 112.658 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.61 -29.05 69.8 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.846 -1.159 . . . . 0.0 113.586 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.29 -29.96 66.84 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.942 1.297 . . . . 0.0 112.763 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -82.21 -7.17 59.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.604 1.962 . . . . 0.0 113.013 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 85.05 38.52 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.341 3.056 . . . . 0.0 113.16 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 69.09 125.11 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.997 3.319 . . . . 0.0 114.053 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -171.06 17.52 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.87 . . . . 0.0 114.21 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.4 m -42.86 -48.65 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -161.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.38 -41.48 99.54 Favored Glycine 0 N--CA 1.476 1.313 0 CA-C-N 119.64 1.109 . . . . 0.0 113.104 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 72.6 m -70.27 -34.88 73.33 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.647 -0.914 . . . . 0.0 112.361 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -62.4 -40.91 98.03 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.404 1.002 . . . . 0.0 112.193 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.418 HG13 HD12 ' B' ' 46' ' ' LEU . 72.1 mt -59.19 -46.52 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.683 1.193 . . . . 0.0 109.776 176.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.27 -48.55 70.1 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.208 0.527 . . . . 0.0 112.398 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 49.1 ttt85 -51.6 -41.15 61.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.584 1.954 . . . . 0.0 112.627 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -38.95 69.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.987 0.915 . . . . 0.0 112.468 -177.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mm -61.56 -44.45 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.571 1.148 . . . . 0.0 110.535 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.69 -34.41 73.89 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.673 -0.642 . . . . 0.0 110.812 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -66.19 -40.97 90.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.439 1.096 . . . . 0.0 112.319 173.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.86 81.83 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.713 -0.617 . . . . 0.0 112.573 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -32.03 72.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.343 1.057 . . . . 0.0 112.287 -175.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -62.36 -21.72 65.54 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.911 1.284 . . . . 0.0 114.417 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -97.57 -33.1 11.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.595 1.158 . . . . 0.0 112.448 171.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.34 -36.07 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 125.345 1.458 . . . . 0.0 112.872 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.482 1.133 0 C-N-CA 125.446 1.498 . . . . 0.0 111.214 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.18 0.038 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.71 172.12 7.01 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.886 1.275 . . . . 0.0 112.348 168.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 135.26 46.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.684 1.594 . . . . 0.0 110.855 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.33 94.75 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 126.178 1.791 . . . . 0.0 108.148 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 t -113.24 112.84 24.42 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.962 1.705 . . . . 0.0 111.179 -170.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.51 170.61 15.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.408 1.083 . . . . 0.0 112.979 -162.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -125.59 86.5 2.55 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.267 1.827 . . . . 0.0 109.563 -167.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -81.7 168.11 18.44 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 110.76 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.0 m -107.07 165.21 11.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.615 0.766 . . . . 0.0 111.619 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -54.35 -45.78 72.8 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.76 -51.4 67.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.13 -42.95 91.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.486 1.114 . . . . 0.0 111.226 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -66.5 -45.09 80.75 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.519 0.728 . . . . 0.0 112.704 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -59.14 -41.4 88.22 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.124 0.969 . . . . 0.0 112.155 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.43 -42.82 92.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.728 1.211 . . . . 0.0 111.975 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.499 HD11 HG13 ' A' ' 61' ' ' ILE . 1.2 mm? -63.86 -45.04 91.25 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 172.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.35 -38.61 87.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.732 0.813 . . . . 0.0 112.902 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.03 -41.2 96.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.363 1.065 . . . . 0.0 111.086 176.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.05 -42.41 66.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 112.405 172.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.01 68.5 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.297 1.439 . . . . 0.0 112.998 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.444 1.02 . . . . 0.0 113.134 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -76.87 -16.67 59.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.906 1.283 . . . . 0.0 113.021 174.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -98.5 1.87 47.06 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.647 1.979 . . . . 0.0 111.932 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 70.32 59.67 0.24 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.658 2.383 . . . . 0.0 112.345 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.286 10.0 pt-20 48.12 83.74 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.383 3.073 . . . . 0.0 115.175 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -141.8 59.83 1.48 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.845 1.658 . . . . 0.0 108.63 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.34 138.66 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.171 -0.956 . . . . 0.0 110.922 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.73 -45.34 2.72 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.457 1.503 . . . . 0.0 111.505 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 m -62.09 -40.47 95.94 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.479 -1.012 . . . . 0.0 111.286 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -59.29 -43.47 92.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.89 0.876 . . . . 0.0 112.143 172.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.499 HG13 HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.6 -51.32 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 124.749 1.22 . . . . 0.0 109.57 172.696 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.33 -48.74 78.52 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.341 0.656 . . . . 0.0 109.964 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -56.76 -38.2 72.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.996 0.918 . . . . 0.0 113.321 174.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -40.91 91.32 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.773 1.17 . . . . 0.0 112.154 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.33 -43.47 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.692 1.597 . . . . 0.0 110.178 174.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.42 -34.82 72.94 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 111.26 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -59.11 -49.07 79.28 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.017 1.727 . . . . 0.0 110.734 169.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.654 1.182 . . . . 0.0 113.774 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -29.86 70.4 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.47 1.508 . . . . 0.0 112.886 -173.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -65.8 -23.53 66.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.344 1.857 . . . . 0.0 113.694 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -145.36 30.86 1.11 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.689 1.596 . . . . 0.0 114.834 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.8 mt -49.61 -41.59 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.055 0.942 . . . . 0.0 112.261 172.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.7 2.0 . . . . 0.0 112.794 177.241 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -85.72 168.03 14.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 111.716 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.91 118.83 22.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.285 1.834 . . . . 0.0 109.681 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 t -130.32 95.73 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.168 1.787 . . . . 0.0 108.845 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -108.11 116.61 32.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.502 1.521 . . . . 0.0 112.731 -177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.26 157.14 18.15 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.901 1.68 . . . . 0.0 110.344 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -129.71 88.52 2.69 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.329 1.452 . . . . 0.0 111.168 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.444 ' CZ ' HD11 ' B' ' 61' ' ' ILE . 75.5 m-85 -84.32 166.74 17.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.757 1.623 . . . . 0.0 112.467 174.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 72.1 p -132.74 87.4 2.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 122.146 0.974 . . . . 0.0 112.483 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 58.04 -77.67 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.379 2.672 . . . . 0.0 113.675 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -51.88 62.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.822 1.649 . . . . 0.0 112.612 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -57.68 -43.6 85.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.664 1.185 . . . . 0.0 112.201 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -65.71 -41.08 92.75 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.84 0.745 . . . . 0.0 112.573 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -37.42 85.69 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.683 0.793 . . . . 0.0 112.393 177.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -60.46 -43.91 96.42 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.126 0.875 . . . . 0.0 111.019 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 -43.45 91.21 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.58 -38.05 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -67.46 -37.66 83.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.658 1.183 . . . . 0.0 112.348 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 45.0 mtp -64.98 -52.21 57.49 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.164 1.786 . . . . 0.0 110.196 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.536 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -57.75 -35.8 71.22 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.96 1.704 . . . . 0.0 114.077 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.68 -26.12 66.87 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.033 0.833 . . . . 0.0 112.993 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -72.72 -27.6 62.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.095 0.958 . . . . 0.0 113.242 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.64 -0.91 57.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.753 1.221 . . . . 0.0 112.726 166.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.9 53.42 0.14 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 128.488 2.715 . . . . 0.0 112.41 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 73.15 102.14 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 129.024 2.93 . . . . 0.0 114.066 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.536 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 30.6 p -152.99 30.29 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.894 2.877 . . . . 0.0 110.893 -169.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.77 118.41 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 120.387 -1.445 . . . . 0.0 111.401 -167.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.81 -47.22 1.32 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.587 1.565 . . . . 0.0 111.498 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -59.16 -35.62 73.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.066 -1.255 . . . . 0.0 111.637 169.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.1 -37.19 86.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.856 0.862 . . . . 0.0 112.886 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.444 HD11 ' CZ ' ' B' ' 38' ' ' PHE . 0.1 OUTLIER -57.54 -49.68 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.124 0.97 . . . . 0.0 109.558 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -60.16 -50.35 74.03 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 123.299 0.64 . . . . 0.0 110.473 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -48.24 -47.65 35.72 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -43.47 77.05 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.129 1.372 . . . . 0.0 112.798 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 19.2 mm -66.0 -39.47 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 125.049 1.34 . . . . 0.0 110.193 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.62 -27.53 51.17 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.385 1.074 . . . . 0.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -63.02 -45.77 90.75 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.941 1.696 . . . . 0.0 111.523 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.12 85.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.672 0.789 . . . . 0.0 112.697 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -30.01 71.12 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.259 1.424 . . . . 0.0 113.068 -173.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.39 -24.8 65.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.774 1.23 . . . . 0.0 113.819 173.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -158.39 68.75 0.48 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.201 1.401 . . . . 0.0 113.539 170.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 30.8 mt -53.21 -41.38 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.357 1.063 . . . . 0.0 113.634 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.562 1.945 . . . . 0.0 114.971 -171.8 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -75.74 100.95 4.86 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 120.363 -1.461 . . . . 0.0 110.926 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 137.69 58.26 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.554 1.142 . . . . 0.0 112.231 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' B' ' 38' ' ' PHE . 22.1 t -130.91 86.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.424 1.89 . . . . 0.0 108.991 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -106.25 106.29 16.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.475 1.11 . . . . 0.0 111.406 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -132.17 165.26 24.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.807 1.643 . . . . 0.0 112.75 -168.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -135.81 84.08 2.06 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.0 1.72 . . . . 0.0 109.716 -164.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -76.89 172.83 12.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.01 1.724 . . . . 0.0 110.944 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -108.3 160.79 15.58 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.625 0.77 . . . . 0.0 111.282 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.61 -50.54 62.86 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 123.262 0.625 . . . . 0.0 112.376 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.42 -49.29 77.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.021 0.828 . . . . 0.0 112.373 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -57.6 -47.03 83.29 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.65 1.18 . . . . 0.0 111.397 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -68.36 -48.53 64.56 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.659 0.783 . . . . 0.0 111.884 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -38.0 84.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.638 1.175 . . . . 0.0 112.129 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -44.35 85.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.102 0.864 . . . . 0.0 111.532 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.36 -37.75 74.65 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.74 -41.78 98.1 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.342 1.057 . . . . 0.0 112.428 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.16 -36.7 82.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.573 1.149 . . . . 0.0 112.207 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.5 mtm -72.47 -41.61 65.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.704 1.201 . . . . 0.0 112.128 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.38 66.74 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.683 1.193 . . . . 0.0 113.584 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -56.67 -26.52 56.55 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.591 1.087 . . . . 0.0 113.251 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.26 -31.04 67.04 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.006 0.922 . . . . 0.0 112.962 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.62 2.47 53.08 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.205 2.202 . . . . 0.0 112.863 169.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 72.87 46.72 0.24 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.048 2.539 . . . . 0.0 113.074 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 55.19 83.31 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.777 3.231 . . . . 0.0 115.041 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 t -136.91 62.97 1.58 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.24 1.816 . . . . 0.0 109.65 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.83 -41.87 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.884 1.273 . . . . 0.0 112.806 -165.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.96 99.71 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.3 0.952 . . . . 0.0 112.644 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -68.37 -40.24 81.52 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.597 -0.943 . . . . 0.0 111.327 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.511 0.724 . . . . 0.0 111.724 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -51.64 -60.69 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.817 1.247 . . . . 0.0 109.039 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -62.29 -45.03 95.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.52 0.2 . . . . 0.0 111.092 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -50.12 -43.29 51.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.732 2.013 . . . . 0.0 111.221 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -36.34 71.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.412 1.006 . . . . 0.0 113.413 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.98 -48.54 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.735 1.614 . . . . 0.0 109.6 169.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -37.67 81.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.955 1.302 . . . . 0.0 110.949 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.86 -47.2 86.12 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.674 1.99 . . . . 0.0 111.226 173.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.23 80.3 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 112.627 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -24.13 65.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.509 1.923 . . . . 0.0 113.673 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -57.72 -34.02 69.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.043 0.937 . . . . 0.0 113.196 173.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -153.74 56.47 0.74 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.158 1.383 . . . . 0.0 112.624 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.72 -55.19 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.434 1.494 . . . . 0.0 113.336 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.943 1.697 . . . . 0.0 113.096 -174.644 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.84 171.4 15.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.049 1.74 . . . . 0.0 111.393 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.89 119.08 21.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.57 1.548 . . . . 0.0 110.556 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.28 100.52 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 126.815 2.046 . . . . 0.0 107.884 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -121.85 98.89 6.16 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.839 1.655 . . . . 0.0 111.012 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -120.34 175.73 5.82 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.251 1.821 . . . . 0.0 113.538 -173.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.58 91.38 2.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.988 2.515 . . . . 0.0 109.17 -164.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.409 ' CD2' HG21 ' A' ' 34' ' ' VAL . 15.2 m-85 -78.79 170.19 17.06 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.664 0.786 . . . . 0.0 111.141 174.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -108.26 168.13 9.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.856 0.862 . . . . 0.0 111.819 162.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.57 -46.87 67.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.412 1.085 . . . . 0.0 112.68 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.82 -54.45 45.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.326 1.05 . . . . 0.0 112.041 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -53.51 -45.83 69.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.073 1.749 . . . . 0.0 111.705 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -70.08 -42.37 72.85 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.342 0.657 . . . . 0.0 112.116 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -64.46 -38.1 89.83 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.507 1.123 . . . . 0.0 112.489 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -50.46 73.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.641 1.176 . . . . 0.0 110.332 171.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.75 -29.2 66.51 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.37 -41.42 89.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.257 1.023 . . . . 0.0 112.841 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -63.34 -36.28 83.17 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.635 0.774 . . . . 0.0 111.956 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 77.9 mtp -67.72 -46.47 72.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.566 1.546 . . . . 0.0 111.567 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.24 -26.55 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.252 1.421 . . . . 0.0 113.943 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.98 -27.09 65.05 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.248 1.385 . . . . 0.0 113.086 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.35 -29.12 63.5 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.272 1.029 . . . . 0.0 112.562 172.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -89.21 7.33 35.89 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.725 2.01 . . . . 0.0 112.182 168.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.55 45.19 1.14 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.739 2.416 . . . . 0.0 113.787 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 57.51 80.7 0.16 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.83 3.252 . . . . 0.0 113.601 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -136.9 43.75 2.37 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.616 1.966 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -43.58 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.435 1.894 . . . . 0.0 114.725 -168.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.18 88.07 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 124.23 0.919 . . . . 0.0 112.438 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -68.0 -44.79 75.77 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 123.567 0.747 . . . . 0.0 111.399 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.34 89.02 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.371 0.987 . . . . 0.0 112.229 -178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 32.3 mt -57.17 -45.39 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.937 1.295 . . . . 0.0 110.191 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.48 -62.16 1.94 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.652 0.381 . . . . 0.0 110.204 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -53.92 -29.46 42.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.999 2.12 . . . . 0.0 114.145 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.72 -38.94 93.01 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.258 1.39 . . . . 0.0 112.654 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.5 mt -71.76 -41.72 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 126.49 1.916 . . . . 0.0 110.978 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 mt -64.84 -36.45 84.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.278 0.944 . . . . 0.0 110.933 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.95 -44.44 94.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.188 2.195 . . . . 0.0 111.709 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.28 92.74 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.767 0.827 . . . . 0.0 112.613 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -24.89 68.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.828 1.651 . . . . 0.0 113.303 -176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -53.62 -39.38 64.88 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.32 1.048 . . . . 0.0 112.266 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -157.57 74.19 0.74 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.127 1.771 . . . . 0.0 111.372 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 27.2 mm -48.04 -54.38 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 125.486 1.514 . . . . 0.0 112.178 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 126.457 1.903 . . . . 0.0 112.274 -179.08 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.261 3.5 t . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -102.39 86.66 2.85 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.675 1.99 . . . . 0.0 111.779 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 118.93 7.35 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.662 1.585 . . . . 0.0 112.079 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -130.96 94.9 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.076 1.75 . . . . 0.0 108.981 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -108.6 124.84 51.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.855 1.662 . . . . 0.0 112.707 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -124.19 171.54 9.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.775 2.03 . . . . 0.0 111.988 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -129.88 80.94 1.99 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.489 1.915 . . . . 0.0 109.212 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -75.03 161.87 29.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.17 1.788 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.51 161.07 15.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.718 -0.614 . . . . 0.0 110.943 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -54.56 -40.07 68.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.618 0.367 . . . . 0.0 111.822 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.75 -53.43 58.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.878 1.271 . . . . 0.0 112.103 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.2 -43.92 87.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.229 1.412 . . . . 0.0 111.487 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.5 -51.46 69.36 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.468 1.507 . . . . 0.0 111.338 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.77 -41.22 97.41 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.244 1.418 . . . . 0.0 112.76 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -60.14 -42.39 94.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.769 0.827 . . . . 0.0 111.129 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -67.35 -35.38 79.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 174.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.23 -42.08 96.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.503 -0.748 . . . . 0.0 112.611 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -65.2 -32.21 73.77 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.161 -0.962 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.0 mtm -70.62 -44.95 66.17 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.572 1.549 . . . . 0.0 112.483 167.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.532 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -57.05 -28.58 62.67 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.028 1.331 . . . . 0.0 113.8 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -57.7 -27.29 62.79 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.853 0.861 . . . . 0.0 113.097 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.64 -29.55 65.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.794 1.238 . . . . 0.0 112.997 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -93.55 3.6 55.28 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.027 1.731 . . . . 0.0 112.596 169.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 70.17 53.98 0.34 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.198 2.599 . . . . 0.0 112.526 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 62.23 95.45 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.102 2.961 . . . . 0.0 113.941 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.532 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 t -149.41 39.07 0.8 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.401 1.48 . . . . 0.0 110.574 -177.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -53.9 128.79 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.461 0.705 . . . . 0.0 109.92 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . 110.5 -54.01 0.56 Allowed Glycine 0 N--CA 1.473 1.113 0 C-N-CA 124.603 1.097 . . . . 0.0 111.394 -170.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -71.45 -38.98 71.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.454 0.702 . . . . 0.0 111.643 171.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.02 -39.14 88.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.41 0.684 . . . . 0.0 112.446 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.474 ' CG1' HD13 ' A' ' 46' ' ' LEU . 22.3 mt -54.15 -55.89 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.169 1.387 . . . . 0.0 109.615 171.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -55.3 -56.12 23.64 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 124.419 1.088 . . . . 0.0 110.071 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.91 -45.41 30.73 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.24 1.816 . . . . 0.0 111.865 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.79 -44.92 79.99 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.801 0.81 . . . . 0.0 112.639 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.2 -43.25 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.033 1.733 . . . . 0.0 110.351 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -32.91 68.71 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 110.593 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.42 -46.44 83.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.708 1.603 . . . . 0.0 111.901 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.14 93.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.681 0.793 . . . . 0.0 112.363 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.92 -14.59 63.08 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.25 1.82 . . . . 0.0 113.963 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.82 -37.4 71.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.464 1.106 . . . . 0.0 112.397 164.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -160.13 70.25 0.43 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.724 2.009 . . . . 0.0 112.783 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mm -54.86 -36.58 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.394 1.078 . . . . 0.0 112.202 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 128.599 2.759 . . . . 0.0 114.945 175.815 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -93.68 99.03 11.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.608 1.563 . . . . 0.0 112.33 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.36 122.48 14.66 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.979 1.712 . . . . 0.0 110.969 166.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.57 95.76 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 127.657 2.383 . . . . 0.0 109.059 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.8 t -115.8 136.91 52.6 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.882 1.273 . . . . 0.0 112.741 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.93 162.66 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 111.492 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -124.21 91.35 3.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.484 1.914 . . . . 0.0 109.777 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' B' ' 61' ' ' ILE . 78.0 m-85 -79.52 175.74 10.33 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.343 1.457 . . . . 0.0 112.498 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -110.61 171.75 7.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.357 1.063 . . . . 0.0 111.408 168.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -58.26 -35.99 72.59 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.68 -59.29 5.63 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.216 . . . . 0.0 112.238 174.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.04 -50.12 20.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.373 2.269 . . . . 0.0 112.069 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -65.6 -44.29 87.03 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.399 1.08 . . . . 0.0 112.528 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.63 -33.97 71.58 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.69 -0.631 . . . . 0.0 112.481 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.08 -43.92 97.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.138 0.881 . . . . 0.0 111.198 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.93 -43.74 94.75 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.38 -41.51 89.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -68.31 -32.0 71.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.292 1.037 . . . . 0.0 113.077 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 34.7 mtp -72.07 -46.26 57.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.065 1.746 . . . . 0.0 111.192 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.23 -20.06 63.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.873 1.669 . . . . 0.0 114.017 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.18 -28.18 51.08 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.82 1.191 . . . . 0.0 113.0 167.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.99 -31.69 68.3 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.082 0.953 . . . . 0.0 112.608 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -86.12 2.72 45.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.934 2.094 . . . . 0.0 112.941 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 70.08 43.96 0.83 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.732 2.413 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 54.4 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.459 3.504 . . . . 0.0 116.039 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.39 -46.58 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.133 1.373 . . . . 0.0 111.603 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 t 71.68 140.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 129.243 3.017 . . . . 0.0 113.137 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.51 -42.81 3.14 Favored Glycine 0 N--CA 1.471 0.992 0 C-N-CA 126.151 1.834 . . . . 0.0 111.501 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -59.13 -37.01 76.23 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.822 1.249 . . . . 0.0 112.015 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.86 -41.35 97.74 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.131 0.972 . . . . 0.0 112.223 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -56.65 -49.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.298 1.439 . . . . 0.0 109.709 175.457 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -60.63 -54.46 45.11 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 123.015 0.526 . . . . 0.0 109.944 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -53.18 -39.77 63.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.293 1.037 . . . . 0.0 112.648 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.61 -46.62 75.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.014 1.326 . . . . 0.0 112.757 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.8 mm -62.37 -44.68 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 125.768 1.627 . . . . 0.0 109.531 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mp -68.6 -36.74 79.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.434 1.094 . . . . 0.0 110.664 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.78 -45.56 92.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.654 1.582 . . . . 0.0 111.749 172.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.8 91.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.688 0.795 . . . . 0.0 112.538 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -29.52 67.51 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.288 1.835 . . . . 0.0 113.044 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -54.56 -35.02 62.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.979 1.711 . . . . 0.0 112.962 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -158.97 59.12 0.42 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.221 1.808 . . . . 0.0 113.371 -175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 44.8 mm -47.93 -45.07 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.64 1.176 . . . . 0.0 112.517 171.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.392 1.877 . . . . 0.0 112.191 178.08 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 121.25 0.548 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -118.41 95.12 4.73 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.267 1.827 . . . . 0.0 111.07 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 128.68 37.76 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 111.121 166.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.8 t -145.97 118.59 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.618 1.567 . . . . 0.0 110.077 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 t -123.48 128.66 50.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.51 1.924 . . . . 0.0 112.611 -170.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -130.59 166.94 19.56 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.999 1.719 . . . . 0.0 112.867 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -118.48 84.35 2.17 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 127.026 2.13 . . . . 0.0 110.44 -170.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -77.59 -179.4 5.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.812 2.045 . . . . 0.0 112.235 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 t -134.9 166.12 23.73 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.834 0.854 . . . . 0.0 112.395 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.69 -51.52 37.74 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.873 1.669 . . . . 0.0 112.759 -164.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.07 -52.46 64.19 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.171 1.388 . . . . 0.0 113.231 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -61.22 -40.46 94.09 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.207 1.003 . . . . 0.0 111.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -69.3 -50.11 49.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.586 0.708 . . . . 0.0 112.315 177.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -37.8 87.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.243 -176.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -67.25 -38.94 86.0 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.243 -0.911 . . . . 0.0 112.207 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.18 -28.97 64.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.36 -44.57 82.84 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.386 1.075 . . . . 0.0 113.003 166.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -63.79 -34.68 78.44 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.434 -0.791 . . . . 0.0 112.41 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.499 ' SD ' HD13 ' B' ' 72' ' ' ILE . 67.1 mtp -68.26 -38.42 81.73 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.759 1.224 . . . . 0.0 112.16 171.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.53 -20.61 64.81 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -58.28 -22.72 53.74 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 119.912 1.233 . . . . 0.0 113.712 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -66.74 -32.82 74.36 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.374 1.47 . . . . 0.0 112.846 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -94.97 5.14 52.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.715 2.406 . . . . 0.0 113.17 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 65.82 47.12 2.14 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.123 2.169 . . . . 0.0 113.1 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 60.1 98.19 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.761 3.225 . . . . 0.0 114.383 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.503 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 73.2 m -138.76 38.48 2.19 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.581 2.352 . . . . 0.0 109.585 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.64 113.83 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.24 1.416 . . . . 0.0 109.732 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.97 -58.15 0.65 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 125.582 1.563 . . . . 0.0 111.035 -171.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m -65.06 -38.18 89.97 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.96 -0.73 . . . . 0.0 112.134 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -42.38 98.74 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.46 -0.775 . . . . 0.0 111.47 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.1 mt -57.36 -47.59 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.866 0.866 . . . . 0.0 110.504 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -59.98 -52.5 65.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.945 0.498 . . . . 0.0 110.976 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.28 -27.51 65.89 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.12 -33.03 74.86 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.53 -1.356 . . . . 0.0 113.118 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.3 mm -67.44 -41.77 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.145 1.378 . . . . 0.0 110.784 167.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.03 -34.6 73.46 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.502 -0.749 . . . . 0.0 111.164 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.11 -34.01 75.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.683 1.993 . . . . 0.0 112.547 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.63 -33.14 35.98 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 171.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -18.74 65.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.614 -168.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -55.1 -21.77 14.09 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -97.97 -2.61 40.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.807 1.243 . . . . 0.0 114.238 173.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -116.55 -23.13 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 126.882 2.073 . . . . 0.0 112.929 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.293 2.237 . . . . 0.0 113.021 170.179 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.47 171.26 8.67 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.876 1.271 . . . . 0.0 111.313 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.34 132.01 35.04 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.539 1.136 . . . . 0.0 111.789 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -136.48 95.04 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.548 1.939 . . . . 0.0 109.385 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.8 t -106.64 127.17 53.13 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.212 1.005 . . . . 0.0 111.236 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.56 165.79 24.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.933 1.693 . . . . 0.0 110.995 -169.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -131.5 75.36 1.65 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.303 1.441 . . . . 0.0 111.347 -174.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.78 176.54 0.52 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.841 1.256 . . . . 0.0 112.643 168.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.8 p -128.36 169.49 14.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.517 1.127 . . . . 0.0 111.533 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.76 -40.56 63.25 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -166.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.61 -55.83 26.42 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.066 1.346 . . . . 0.0 113.063 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -57.85 -40.28 79.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.712 1.205 . . . . 0.0 112.048 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -67.51 -44.08 79.31 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.411 1.085 . . . . 0.0 112.168 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -66.16 -40.77 90.79 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.954 0.902 . . . . 0.0 112.871 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -36.79 75.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.918 0.887 . . . . 0.0 112.207 173.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.533 HD13 ' CG1' ' B' ' 61' ' ' ILE . 0.4 OUTLIER -77.42 -39.32 47.33 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.9 -39.11 84.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.917 1.287 . . . . 0.0 112.825 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.89 -39.44 89.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.605 1.162 . . . . 0.0 111.705 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -39.72 83.43 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.438 1.095 . . . . 0.0 112.585 173.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.51 -21.55 64.32 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.99 -24.76 55.93 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 121.147 -0.971 . . . . 0.0 113.559 168.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.04 -15.76 61.07 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.446 1.898 . . . . 0.0 113.634 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.03 9.65 11.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.578 2.351 . . . . 0.0 111.677 174.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.19 62.93 0.68 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.392 2.277 . . . . 0.0 113.214 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.26 9.5 pt-20 47.64 81.66 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.309 2.644 . . . . 0.0 115.189 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -137.62 46.0 2.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.293 1.837 . . . . 0.0 109.908 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.71 112.28 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.548 1.139 . . . . 0.0 110.426 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.27 -54.85 0.74 Allowed Glycine 0 N--CA 1.477 1.379 0 C-N-CA 125.188 1.375 . . . . 0.0 111.755 -171.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.4 m -62.39 -37.75 86.96 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.053 -1.263 . . . . 0.0 111.205 167.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.53 -40.74 95.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.533 ' CG1' HD13 ' B' ' 46' ' ' LEU . 15.6 mt -56.16 -53.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.761 1.224 . . . . 0.0 109.734 174.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -61.9 -50.28 72.84 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.868 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -56.65 -37.66 71.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.53 0.732 . . . . 0.0 112.028 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -44.62 66.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.23 0.923 . . . . 0.0 112.689 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.29 -45.31 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.066 1.346 . . . . 0.0 109.309 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -33.2 65.86 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.348 1.059 . . . . 0.0 110.744 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.94 -40.27 87.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.096 0.958 . . . . 0.0 112.466 171.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.45 86.69 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.553 -0.717 . . . . 0.0 112.397 171.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -21.58 65.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.931 1.692 . . . . 0.0 114.013 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -60.13 -26.35 66.19 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -155.64 64.77 0.6 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.41 1.084 . . . . 0.0 113.105 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.499 HD13 ' SD ' ' A' ' 49' ' ' MET . 3.6 mt -52.42 -39.13 27.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 125.916 1.686 . . . . 0.0 113.778 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.804 2.042 . . . . 0.0 114.372 -178.556 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.85 168.81 17.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.67 1.988 . . . . 0.0 111.744 174.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.84 106.83 8.7 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.548 1.939 . . . . 0.0 109.752 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.93 78.63 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.763 1.225 . . . . 0.0 109.545 -157.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -108.22 121.54 45.08 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.039 1.335 . . . . 0.0 112.339 -164.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.87 166.25 23.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.807 2.043 . . . . 0.0 112.152 -174.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -128.66 89.09 2.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.982 2.113 . . . . 0.0 110.137 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.32 174.73 10.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.257 1.423 . . . . 0.0 111.879 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -120.21 157.84 28.24 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.128 0.971 . . . . 0.0 110.878 172.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.94 -43.95 70.24 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 123.819 0.847 . . . . 0.0 113.074 -168.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.32 -53.76 54.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.146 0.885 . . . . 0.0 112.544 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -60.81 -39.33 88.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.973 0.909 . . . . 0.0 112.137 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -66.96 -53.34 32.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.452 0.701 . . . . 0.0 111.884 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -40.29 88.13 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 111.826 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -59.34 -39.91 84.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.113 0.87 . . . . 0.0 112.479 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.7 mt -74.63 -30.32 61.6 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.346 0.975 . . . . 0.0 113.489 175.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.1 -44.64 91.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.428 -0.795 . . . . 0.0 112.266 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -62.97 -35.63 80.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.367 1.467 . . . . 0.0 112.002 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mmm -66.91 -49.38 65.75 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.845 2.058 . . . . 0.0 111.621 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.39 66.26 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -57.48 -24.83 58.06 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.572 1.078 . . . . 0.0 112.912 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.81 -35.59 74.95 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.16 0.984 . . . . 0.0 112.935 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 1.48 33.13 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.321 1.848 . . . . 0.0 112.706 168.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 76.48 40.54 0.22 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.48 2.712 . . . . 0.0 113.085 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.66 100.14 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 129.493 3.117 . . . . 0.0 113.951 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.2 p -147.37 37.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.008 2.123 . . . . 0.0 112.168 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -48.57 -47.26 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 125.106 1.362 . . . . 0.0 114.529 -160.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.2 -41.22 99.42 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.624 0.63 . . . . 0.0 113.098 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 m -69.44 -39.29 77.91 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.539 -0.977 . . . . 0.0 111.324 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.88 -42.64 89.98 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.761 0.824 . . . . 0.0 111.515 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.4 -59.35 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.437 1.095 . . . . 0.0 109.167 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.92 -42.75 99.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -55.2 -42.32 73.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.773 2.029 . . . . 0.0 112.275 174.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -40.35 82.53 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.363 0.983 . . . . 0.0 111.815 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.637 HD11 HD11 ' B' ' 65' ' ' ILE . 64.7 mt -62.6 -44.8 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.847 1.659 . . . . 0.0 110.15 173.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.58 -37.34 79.77 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.905 0.882 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.05 -41.87 99.58 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.525 1.53 . . . . 0.0 112.133 173.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.43 92.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.798 0.839 . . . . 0.0 111.612 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.0 -32.82 73.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.662 1.185 . . . . 0.0 112.25 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -18.29 8.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.102 2.161 . . . . 0.0 115.024 169.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -115.07 -31.53 6.01 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.013 2.125 . . . . 0.0 113.354 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.4 -47.36 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.054 1.742 . . . . 0.0 111.103 172.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.683 1.593 . . . . 0.0 113.567 178.338 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.84 167.77 19.54 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.044 1.338 . . . . 0.0 112.781 169.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.13 113.33 12.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.844 2.058 . . . . 0.0 109.22 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.61 93.24 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.815 1.646 . . . . 0.0 109.081 -163.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -122.62 107.85 12.43 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.375 1.47 . . . . 0.0 111.547 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.59 177.7 4.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.495 1.918 . . . . 0.0 111.955 -174.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -138.68 84.41 2.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.528 1.931 . . . . 0.0 109.454 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.77 178.91 1.55 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.808 1.243 . . . . 0.0 111.076 170.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.445 ' H ' ' HG3' ' B' ' 42' ' ' GLN . 11.1 t -128.12 170.57 12.8 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.597 1.159 . . . . 0.0 109.906 164.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.31 -51.52 53.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 0.0 113.016 -160.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.85 -66.77 0.37 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.919 1.287 . . . . 0.0 112.408 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' B' ' 39' ' ' SER . 4.5 pt20 -59.1 -24.45 62.96 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.252 1.421 . . . . 0.0 114.578 -175.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.77 -55.89 6.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.297 1.039 . . . . 0.0 111.557 168.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -28.41 70.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.025 0.93 . . . . 0.0 112.86 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -31.73 73.02 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.953 1.701 . . . . 0.0 111.094 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.36 -38.45 22.0 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 166.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -57.93 -37.8 74.76 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.215 -0.928 . . . . 0.0 113.335 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -33.98 76.65 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.617 1.167 . . . . 0.0 112.354 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 70.5 mtm -74.71 -42.81 57.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.483 1.113 . . . . 0.0 111.739 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.13 67.49 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.29 -26.9 66.86 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.143 -0.973 . . . . 0.0 113.299 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.69 -32.02 67.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.288 1.035 . . . . 0.0 112.759 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -80.34 -1.6 41.8 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.006 1.722 . . . . 0.0 112.659 168.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 79.46 42.41 0.07 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 128.926 2.89 . . . . 0.0 112.43 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 63.22 101.97 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 129.246 3.018 . . . . 0.0 114.178 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.9 p -149.88 26.76 0.81 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.465 1.906 . . . . 0.0 112.66 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . 0.29 3.6 p -56.31 -32.92 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 120.597 1.544 . . . . 0.0 114.778 -162.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.41 -41.4 63.13 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.617 1.103 . . . . 0.0 114.008 171.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -81.82 -35.43 29.45 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.617 1.567 . . . . 0.0 112.802 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -57.62 -41.54 81.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.288 1.035 . . . . 0.0 111.584 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.1 mt -51.62 -58.19 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.329 1.852 . . . . 0.0 108.894 174.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -52.55 65.16 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.42 0.688 . . . . 0.0 111.534 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -54.68 -37.21 65.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 0.0 111.765 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.19 -43.39 61.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 113.381 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.637 HD11 HD11 ' A' ' 65' ' ' ILE . 68.8 mt -61.25 -45.56 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.004 1.722 . . . . 0.0 109.602 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -37.16 75.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.532 1.133 . . . . 0.0 110.171 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.93 -43.45 94.94 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.655 1.182 . . . . 0.0 112.049 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.75 89.19 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.502 0.721 . . . . 0.0 112.466 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -25.8 67.68 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.448 1.899 . . . . 0.0 113.796 -177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.08 -25.13 63.51 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.182 0.993 . . . . 0.0 113.498 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -152.02 50.96 0.79 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.194 1.798 . . . . 0.0 113.536 -172.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.36 -54.23 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.182 0.993 . . . . 0.0 111.703 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.198 1.799 . . . . 0.0 112.623 172.698 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -77.41 72.29 3.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.319 1.448 . . . . 0.0 111.401 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.82 126.89 29.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.578 1.151 . . . . 0.0 111.397 169.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.7 t -144.65 118.7 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.12 1.768 . . . . 0.0 109.147 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -124.97 136.83 54.1 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 126.105 1.762 . . . . 0.0 112.593 -165.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -136.66 163.41 30.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.019 1.727 . . . . 0.0 112.096 -168.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -122.22 89.86 3.19 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.727 1.611 . . . . 0.0 111.022 -174.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -83.68 176.3 9.08 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.136 2.175 . . . . 0.0 112.596 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.0 p -128.57 168.7 15.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.511 1.524 . . . . 0.0 112.043 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.26 -53.04 18.55 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.972 0.909 . . . . 0.0 113.391 -173.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.99 -49.97 74.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.745 0.818 . . . . 0.0 112.599 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.98 -38.32 88.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 0.0 112.297 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -70.71 -51.09 29.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.53 1.132 . . . . 0.0 111.86 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -37.24 86.94 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.36 1.064 . . . . 0.0 113.193 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -64.65 -29.07 70.06 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.129 -0.982 . . . . 0.0 112.926 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 61' ' ' ILE . 1.3 mt -78.73 -37.1 42.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.75 -43.2 99.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.941 0.896 . . . . 0.0 113.258 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.3 -28.23 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.538 -0.726 . . . . 0.0 112.765 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.6 mtm -69.19 -43.23 74.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.118 0.967 . . . . 0.0 111.283 167.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -60.83 -28.39 68.78 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.37 -24.55 60.24 Favored 'General case' 0 CA--C 1.555 1.144 0 O-C-N 121.027 -1.046 . . . . 0.0 113.715 170.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -32.96 72.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.994 1.317 . . . . 0.0 113.259 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.02 -1.03 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.752 2.021 . . . . 0.0 113.306 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 75.03 43.23 0.22 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.917 2.487 . . . . 0.0 112.909 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 69.56 111.92 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 130.058 3.343 . . . . 0.0 114.27 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.52 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 83.8 p -151.99 25.28 0.64 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.961 2.104 . . . . 0.0 111.327 -173.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.9 116.97 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.807 1.243 . . . . 0.0 110.476 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.82 -51.66 0.73 Allowed Glycine 0 N--CA 1.476 1.31 0 C-N-CA 125.357 1.456 . . . . 0.0 111.916 -169.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -72.22 -41.19 67.15 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.813 -0.816 . . . . 0.0 112.139 170.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.93 -39.63 78.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.858 -0.526 . . . . 0.0 111.784 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 46' ' ' LEU . 6.1 mt -53.81 -52.07 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.483 1.513 . . . . 0.0 110.555 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -47.96 78.54 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.623 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.08 -37.9 62.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.232 1.013 . . . . 0.0 113.4 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -37.7 77.34 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.479 1.111 . . . . 0.0 112.453 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.405 HG12 HD11 ' B' ' 65' ' ' ILE . 11.5 mm -68.05 -43.28 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.785 1.234 . . . . 0.0 111.055 170.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -37.14 81.8 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.358 -0.839 . . . . 0.0 110.187 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.14 -39.32 92.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.328 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.34 83.84 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 72' ' ' ILE . 28.2 mt -67.79 -25.63 65.69 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.112 1.365 . . . . 0.0 113.071 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -64.79 -21.61 66.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 169.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -152.88 48.03 0.72 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.469 1.108 . . . . 0.0 113.456 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.636 HD11 HD23 ' A' ' 69' ' ' LEU . 44.7 mt -48.55 -37.75 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.185 1.394 . . . . 0.0 113.47 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 126.824 2.05 . . . . 0.0 110.818 177.786 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -87.79 165.55 15.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.124 0.97 . . . . 0.0 111.596 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.29 129.3 44.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.305 1.442 . . . . 0.0 110.318 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -133.93 91.98 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.073 1.749 . . . . 0.0 109.315 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -98.51 133.79 42.38 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.01 0.924 . . . . 0.0 111.497 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.07 162.52 28.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.677 1.991 . . . . 0.0 110.434 -173.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -133.63 77.56 1.73 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.95 1.7 . . . . 0.0 109.812 -169.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.87 -175.55 3.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.736 1.614 . . . . 0.0 112.449 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -127.97 169.29 14.16 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.194 0.998 . . . . 0.0 111.876 163.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -50.18 -41.92 50.19 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 112.838 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.87 -53.91 53.06 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.626 1.17 . . . . 0.0 113.289 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.48 -42.16 98.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.074 0.549 . . . . 0.0 111.535 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.72 -44.55 66.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.997 0.519 . . . . 0.0 112.337 -178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -35.63 77.21 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.4 -0.813 . . . . 0.0 112.387 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -66.23 -38.24 87.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 174.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.465 HD13 HG12 ' B' ' 61' ' ' ILE . 0.4 OUTLIER -68.86 -38.29 79.64 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.12 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.75 -39.63 92.29 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.682 1.193 . . . . 0.0 113.026 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.58 -34.28 77.88 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.597 0.759 . . . . 0.0 111.758 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.81 72.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.045 0.938 . . . . 0.0 112.477 168.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -60.85 -29.13 69.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.63 -20.83 35.81 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.43 1.092 . . . . 0.0 113.823 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.64 -38.57 89.74 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.103 1.361 . . . . 0.0 113.007 170.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -80.52 -15.0 57.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.677 1.591 . . . . 0.0 113.278 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 93.88 36.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 129.55 3.14 . . . . 0.0 112.154 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 77.05 112.44 0.07 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 130.567 3.547 . . . . 0.0 113.512 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.511 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 81.8 p -153.47 25.37 0.52 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.747 2.019 . . . . 0.0 111.262 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -53.04 120.48 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.163 -0.961 . . . . 0.0 111.416 -175.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.21 -54.56 0.63 Allowed Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.19 1.376 . . . . 0.0 111.239 -168.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.2 m -74.61 -40.56 61.47 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.538 -0.978 . . . . 0.0 111.746 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.81 -35.17 75.81 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.465 HG12 HD13 ' B' ' 46' ' ' LEU . 33.7 mt -55.43 -55.18 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.058 1.343 . . . . 0.0 109.611 171.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -61.99 -47.14 86.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.21 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -50.27 -43.19 53.26 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.256 0.935 . . . . 0.0 111.652 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.46 -38.52 65.43 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.405 HD11 HG12 ' A' ' 65' ' ' ILE . 25.4 mm -62.12 -48.91 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.249 1.42 . . . . 0.0 109.852 169.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.69 74.91 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.604 1.162 . . . . 0.0 110.408 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -64.89 -45.99 83.61 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.567 1.147 . . . . 0.0 111.563 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.86 69.05 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.2 -23.62 66.47 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.803 1.641 . . . . 0.0 113.815 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.68 -21.52 65.8 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -154.63 35.8 0.41 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.545 1.138 . . . . 0.0 113.772 -164.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 28.4 mt -46.42 -45.5 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.069 1.347 . . . . 0.0 113.567 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.249 1.061 0 C-N-CA 126.394 1.878 . . . . 0.0 110.783 179.091 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.871 0.367 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -91.69 86.18 5.89 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.331 1.452 . . . . 0.0 111.155 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.32 141.54 50.78 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -139.88 97.06 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.391 2.276 . . . . 0.0 108.748 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t -118.78 117.18 28.21 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.905 1.282 . . . . 0.0 110.819 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.77 165.26 26.34 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.016 1.327 . . . . 0.0 112.461 -167.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -124.39 86.52 2.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.545 1.538 . . . . 0.0 110.967 -168.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -72.66 169.94 15.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.639 1.576 . . . . 0.0 111.445 172.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -116.65 160.33 20.87 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.953 0.901 . . . . 0.0 111.141 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -44.14 -54.43 5.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.121 1.369 . . . . 0.0 113.685 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.94 -48.22 82.61 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.487 1.115 . . . . 0.0 113.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -61.96 -42.81 99.54 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.091 0.956 . . . . 0.0 111.233 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.83 -43.1 76.22 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.03 0.919 . . . . 0.0 112.736 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -34.79 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 112.26 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -64.19 -39.44 93.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.481 1.037 . . . . 0.0 113.038 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.23 -41.12 97.14 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.625 1.102 . . . . 0.0 112.435 170.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.16 -37.51 85.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.645 1.178 . . . . 0.0 112.734 173.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -37.08 85.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.342 0.657 . . . . 0.0 112.221 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 50.7 mtm -72.57 -43.78 62.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.791 0.836 . . . . 0.0 111.794 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.29 96.31 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.944 0.898 . . . . 0.0 112.949 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -62.67 -28.52 69.98 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.075 -1.016 . . . . 0.0 113.468 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.65 -19.39 63.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.645 1.578 . . . . 0.0 113.371 173.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -110.25 0.65 18.2 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.755 2.022 . . . . 0.0 112.76 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 84.46 47.23 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 128.854 2.862 . . . . 0.0 113.756 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 76.93 120.28 0.05 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 130.037 3.335 . . . . 0.0 114.031 176.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 t -163.72 16.33 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.973 1.709 . . . . 0.0 111.019 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -60.46 131.44 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 120.31 -1.494 . . . . 0.0 111.093 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.51 -57.86 0.74 Allowed Glycine 0 N--CA 1.469 0.867 0 C-N-CA 125.443 1.497 . . . . 0.0 109.946 -168.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.292 -1.122 . . . . 0.0 111.981 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.77 -37.56 79.41 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.912 0.885 . . . . 0.0 112.663 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.32 -55.53 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.783 0.833 . . . . 0.0 109.445 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.46 -47.07 87.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.67 -41.56 70.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.61 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.78 -41.1 79.26 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.366 1.079 . . . . 0.0 112.321 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.53 -41.74 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.285 1.434 . . . . 0.0 110.282 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.86 -36.17 75.31 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.45 0.7 . . . . 0.0 110.669 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.88 -41.69 99.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.208 1.003 . . . . 0.0 111.934 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.45 85.45 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.94 0.896 . . . . 0.0 113.118 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.94 -26.02 68.4 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 113.25 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -58.62 -30.1 66.99 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.415 1.086 . . . . 0.0 113.629 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -160.01 50.78 0.31 Allowed 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -48.86 -39.67 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.822 1.249 . . . . 0.0 113.541 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.249 1.075 0 C-N-CA 126.564 1.946 . . . . 0.0 110.9 -177.83 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -105.34 172.29 6.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.658 1.183 . . . . 0.0 111.112 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.97 132.61 36.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.106 . . . . 0.0 111.673 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.44 99.27 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.92 2.088 . . . . 0.0 108.168 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -117.53 122.2 43.05 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.014 1.325 . . . . 0.0 111.594 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.2 mt -142.76 171.41 14.1 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.346 1.859 . . . . 0.0 112.065 -164.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -136.49 95.39 3.15 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.394 1.878 . . . . 0.0 108.913 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -77.82 177.28 8.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.251 1.421 . . . . 0.0 110.738 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -125.25 162.39 24.82 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.325 0.65 . . . . 0.0 111.249 164.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.67 -31.28 69.4 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -162.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.94 -49.91 72.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.506 1.122 . . . . 0.0 112.873 171.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.03 -42.56 85.57 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.028 1.731 . . . . 0.0 111.46 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -70.44 -43.35 70.05 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.565 0.746 . . . . 0.0 112.649 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.08 -39.6 93.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.619 1.168 . . . . 0.0 113.103 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -65.27 -34.22 77.83 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.491 -0.755 . . . . 0.0 111.605 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.544 HD13 HG12 ' B' ' 61' ' ' ILE . 0.8 OUTLIER -75.17 -33.44 61.46 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 173.052 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.32 -41.02 90.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.859 1.264 . . . . 0.0 113.026 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.98 -27.52 63.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.219 0.608 . . . . 0.0 112.455 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 13.4 mtm -70.06 -46.26 65.34 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.987 0.915 . . . . 0.0 112.405 163.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.88 -28.43 67.54 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -56.24 -27.14 53.95 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 169.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.17 -29.79 65.63 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.935 1.294 . . . . 0.0 113.375 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -89.67 -0.41 57.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.075 2.15 . . . . 0.0 112.9 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 72.33 47.29 0.28 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 127.734 2.414 . . . . 0.0 112.732 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 64.36 113.4 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 129.855 3.262 . . . . 0.0 114.645 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.511 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 41.8 m -154.34 28.21 0.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.011 2.125 . . . . 0.0 110.759 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -55.98 132.84 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 120.501 -1.375 . . . . 0.0 111.751 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.86 -46.22 1.63 Allowed Glycine 0 N--CA 1.475 1.261 0 C-N-CA 125.332 1.444 . . . . 0.0 112.023 -173.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -70.39 -39.83 74.3 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.366 -1.079 . . . . 0.0 111.068 166.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.53 -38.04 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.271 -0.893 . . . . 0.0 112.783 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.544 HG12 HD13 ' B' ' 46' ' ' LEU . 41.8 mt -56.1 -51.77 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.456 1.103 . . . . 0.0 110.395 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -61.91 -50.99 69.96 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.846 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -54.69 -38.67 67.28 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.754 1.221 . . . . 0.0 112.596 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.36 -44.85 90.12 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.561 1.172 . . . . 0.0 112.241 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.47 -44.09 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 125.798 1.639 . . . . 0.0 110.473 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -29.8 65.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.64 0.776 . . . . 0.0 111.044 -176.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.41 -45.36 66.08 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.958 1.303 . . . . 0.0 111.965 169.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.22 72.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.634 0.774 . . . . 0.0 112.795 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.28 -19.51 65.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.492 1.517 . . . . 0.0 113.985 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.61 -34.24 77.8 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.061 0.944 . . . . 0.0 112.449 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -151.94 73.75 1.07 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.951 2.1 . . . . 0.0 111.974 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.0 mm -49.67 -40.67 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 121.114 -0.991 . . . . 0.0 112.982 170.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 126.595 1.958 . . . . 0.0 112.496 177.531 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.27 80.56 2.38 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.159 1.784 . . . . 0.0 110.669 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.09 119.66 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.438 2.295 . . . . 0.0 110.844 166.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 98.89 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.47 1.908 . . . . 0.0 109.394 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -108.57 123.12 48.43 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.42 1.888 . . . . 0.0 112.527 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.36 168.09 12.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.405 1.882 . . . . 0.0 112.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.67 77.48 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.947 2.099 . . . . 0.0 110.098 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.11 168.38 12.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.187 1.795 . . . . 0.0 111.44 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -117.77 167.98 10.88 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.288 1.035 . . . . 0.0 111.297 171.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.94 -41.75 75.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -165.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.96 -52.99 61.8 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.958 1.253 . . . . 0.0 112.824 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -53.76 -47.63 70.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.39 1.476 . . . . 0.0 110.808 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -60.75 -49.04 79.09 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.307 . . . . 0.0 111.816 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.71 -43.43 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.04 1.336 . . . . 0.0 112.407 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -44.19 91.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.303 1.041 . . . . 0.0 111.404 173.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.05 -43.52 95.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.863 0.756 . . . . 0.0 112.568 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.71 -38.4 90.32 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.531 -0.731 . . . . 0.0 112.73 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -68.57 -33.49 74.16 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.193 1.397 . . . . 0.0 112.247 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.6 mtm -67.02 -50.37 62.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.916 0.887 . . . . 0.0 110.73 167.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.18 69.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.871 1.269 . . . . 0.0 113.991 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -56.23 -28.38 58.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.195 1.398 . . . . 0.0 112.709 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -70.03 -31.74 69.53 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.412 1.085 . . . . 0.0 112.588 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.43 0.59 57.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.917 2.087 . . . . 0.0 112.909 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 77.83 50.79 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.407 2.683 . . . . 0.0 112.685 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 55.42 82.39 0.1 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 129.471 3.108 . . . . 0.0 114.547 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 76.0 p -118.19 25.09 10.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 128.224 2.609 . . . . 0.0 112.234 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -44.84 -51.85 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 126.165 1.786 . . . . 0.0 114.689 -155.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -59.02 -37.73 91.98 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.0 1.286 . . . . 0.0 113.756 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.3 m -75.69 -37.08 59.83 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.239 1.416 . . . . 0.0 111.995 171.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -60.48 -41.99 95.34 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.205 0.911 . . . . 0.0 111.789 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.494 HD13 HG13 ' B' ' 34' ' ' VAL . 39.4 mt -51.61 -57.58 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.402 1.481 . . . . 0.0 109.979 171.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.98 -44.72 96.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.999 0.919 . . . . 0.0 111.463 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -55.73 -39.5 71.19 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.46 1.904 . . . . 0.0 111.951 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.69 -40.87 79.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.414 1.006 . . . . 0.0 112.828 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.07 -42.45 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.201 1.4 . . . . 0.0 110.215 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.39 -36.03 73.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.793 0.837 . . . . 0.0 111.051 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.51 -43.93 93.25 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.511 1.524 . . . . 0.0 111.292 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.73 88.38 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.6 -28.13 69.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.576 1.551 . . . . 0.0 112.869 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -54.77 -36.06 64.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.945 1.298 . . . . 0.0 112.779 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -155.94 75.45 0.9 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.492 1.517 . . . . 0.0 112.64 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.54 -36.73 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.433 1.093 . . . . 0.0 113.458 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.858 1.663 . . . . 0.0 111.796 -179.153 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 121.398 0.618 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.49 170.09 9.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.401 2.281 . . . . 0.0 111.04 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.16 115.86 21.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.212 1.405 . . . . 0.0 110.529 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.494 HG13 HD13 ' A' ' 61' ' ' ILE . 92.9 t -127.83 89.74 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.597 1.559 . . . . 0.0 109.638 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -117.89 128.86 55.23 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.099 0.96 . . . . 0.0 113.489 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.45 172.19 13.36 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.402 1.481 . . . . 0.0 113.064 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -130.36 83.48 2.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.372 1.869 . . . . 0.0 110.019 -161.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.8 -177.81 5.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.612 1.965 . . . . 0.0 111.833 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -129.11 173.71 10.22 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.604 1.161 . . . . 0.0 111.139 164.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.08 -35.63 67.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.722 1.209 . . . . 0.0 113.45 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.31 -50.67 69.14 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.895 -1.128 . . . . 0.0 112.564 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.81 -47.32 86.86 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.041 1.736 . . . . 0.0 111.235 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.81 -38.2 82.98 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.753 -0.592 . . . . 0.0 112.406 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -65.07 -39.36 93.11 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -43.59 95.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.228 0.611 . . . . 0.0 112.003 172.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.1 -47.39 86.51 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.461 0.704 . . . . 0.0 112.578 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.83 -40.18 83.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.798 0.839 . . . . 0.0 112.811 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -62.77 -36.14 82.1 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.151 0.98 . . . . 0.0 112.187 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 47.8 mtm -74.96 -42.06 58.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.593 1.557 . . . . 0.0 112.522 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.56 60.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.932 1.693 . . . . 0.0 114.359 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.39 -23.05 56.02 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.824 1.193 . . . . 0.0 113.038 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -70.76 -35.3 72.56 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.054 -1.029 . . . . 0.0 112.867 170.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -75.83 -1.7 26.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.777 1.631 . . . . 0.0 113.065 166.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 69.34 40.39 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.341 2.256 . . . . 0.0 111.941 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 65.1 115.95 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 130.606 3.562 . . . . 0.0 114.965 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 39.7 t -144.38 -55.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.158 1.383 . . . . 0.0 110.239 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 t 68.46 141.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 129.432 3.093 . . . . 0.0 112.786 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.06 -39.75 2.07 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.636 1.589 . . . . 0.0 112.216 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.9 t -59.78 -40.76 89.34 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.499 -1.001 . . . . 0.0 111.321 171.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.41 -39.83 76.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.468 1.107 . . . . 0.0 112.508 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -52.88 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.306 1.443 . . . . 0.0 109.47 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -62.07 -50.32 72.45 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.285 0.634 . . . . 0.0 110.215 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -51.9 -42.85 63.04 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.903 1.681 . . . . 0.0 111.925 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.88 -44.89 75.97 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.204 1.002 . . . . 0.0 112.776 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.3 -39.24 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 126.106 1.762 . . . . 0.0 110.133 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.49 -32.97 64.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.309 1.043 . . . . 0.0 110.757 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -64.26 -48.19 76.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.116 1.366 . . . . 0.0 111.675 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.15 70.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.685 1.194 . . . . 0.0 112.846 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -27.62 68.82 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.31 -20.23 27.19 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.018 1.727 . . . . 0.0 114.037 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -115.66 -26.08 7.59 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.29 1.836 . . . . 0.0 113.775 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 25.7 mm -73.11 -34.7 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.524 1.53 . . . . 0.0 112.887 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.752 1.621 . . . . 0.0 113.423 173.132 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.535 0.369 0 CA-C-O 121.157 0.503 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -118.17 95.77 5.04 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.922 1.689 . . . . 0.0 112.362 -174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 132.56 53.51 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.726 1.21 . . . . 0.0 111.557 170.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -142.88 103.95 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.511 1.925 . . . . 0.0 109.402 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -102.89 127.33 50.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.121 1.369 . . . . 0.0 112.062 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.9 164.49 22.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.029 2.132 . . . . 0.0 111.396 -168.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.83 81.86 1.99 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.28 1.432 . . . . 0.0 110.297 -166.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -82.52 172.95 12.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.457 1.903 . . . . 0.0 112.319 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -85.59 145.9 27.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 121.987 -0.446 . . . . 0.0 109.824 162.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.36 -29.41 63.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.893 0.477 . . . . 0.0 111.708 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.54 -56.43 16.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.708 -1.245 . . . . 0.0 111.906 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -60.54 -38.36 84.23 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.897 1.279 . . . . 0.0 111.858 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -57.85 -54.26 48.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.762 1.225 . . . . 0.0 111.753 173.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.959 0.903 . . . . 0.0 112.943 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -60.81 -42.18 97.16 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.524 -0.735 . . . . 0.0 111.473 171.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.482 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -67.11 -31.04 71.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 170.391 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.35 -40.02 93.07 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.734 -1.229 . . . . 0.0 112.467 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -64.53 -35.48 81.09 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.813 0.845 . . . . 0.0 112.541 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.9 mtp -65.72 -48.94 70.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.25 1.42 . . . . 0.0 110.747 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.552 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.85 -32.09 73.24 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.886 1.274 . . . . 0.0 114.002 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -26.47 66.35 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.634 1.106 . . . . 0.0 112.169 174.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -71.98 -25.57 61.91 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.536 1.134 . . . . 0.0 112.68 173.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -97.16 2.67 51.35 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.731 2.012 . . . . 0.0 112.081 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.5 52.5 0.17 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.331 2.652 . . . . 0.0 112.96 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 59.85 102.06 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.668 3.187 . . . . 0.0 115.262 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.552 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 79.9 p -145.9 27.1 1.21 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.623 2.369 . . . . 0.0 111.397 -173.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.38 115.01 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.788 1.235 . . . . 0.0 110.234 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.64 -51.32 0.71 Allowed Glycine 0 N--CA 1.473 1.105 0 C-N-CA 125.138 1.351 . . . . 0.0 112.274 -170.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.22 -39.05 92.26 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.088 -1.242 . . . . 0.0 111.205 166.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.25 -39.25 94.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.839 0.855 . . . . 0.0 112.424 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG1' HD13 ' A' ' 46' ' ' LEU . 45.0 mt -55.18 -58.07 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.583 1.153 . . . . 0.0 109.346 170.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -56.94 -50.94 71.07 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.891 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -44.9 -45.88 10.59 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.501 1.92 . . . . 0.0 111.67 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -40.65 74.6 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 HG12 ' B' ' 65' ' ' ILE . 24.3 mm -62.92 -44.92 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.352 1.461 . . . . 0.0 110.031 170.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -35.02 75.94 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 110.55 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.14 -50.57 67.67 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.01 1.724 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.67 -25.0 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.57 -24.82 67.72 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.182 1.793 . . . . 0.0 113.244 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -54.56 -44.46 72.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.848 1.259 . . . . 0.0 111.993 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 80.64 1.75 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.001 2.121 . . . . 0.0 110.929 168.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.5 mt -51.07 -50.95 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.122 0.969 . . . . 0.0 111.796 167.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.462 1.905 . . . . 0.0 114.973 -178.737 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.673 0.273 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -73.5 159.69 32.81 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.103 1.361 . . . . 0.0 110.965 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.85 108.31 12.85 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.165 1.786 . . . . 0.0 110.123 -175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 44.0 t -132.06 92.02 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.021 1.328 . . . . 0.0 109.826 -167.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -114.88 122.3 45.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.818 1.247 . . . . 0.0 112.23 -170.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -111.6 163.82 13.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.373 1.869 . . . . 0.0 110.614 -174.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -133.23 81.73 1.95 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.558 1.543 . . . . 0.0 109.58 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -69.68 167.46 16.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.902 0.881 . . . . 0.0 111.561 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -117.09 92.64 3.91 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.583 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 35.11 -67.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 1 C-N-CA 132.268 4.227 . . . . 0.0 116.691 169.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.95 -50.76 60.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.974 1.31 . . . . 0.0 111.972 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -54.49 -47.12 73.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.437 1.495 . . . . 0.0 111.773 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.93 -46.27 82.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.564 0.746 . . . . 0.0 111.738 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.45 -34.47 78.36 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 125.269 1.428 . . . . 0.0 113.346 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -38.31 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.866 1.267 . . . . 0.0 111.215 171.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.97 -31.14 58.87 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.71 -40.57 97.57 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.818 -1.176 . . . . 0.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -62.41 -34.04 75.95 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.405 1.482 . . . . 0.0 112.062 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mtm -71.44 -44.46 64.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.61 1.164 . . . . 0.0 112.607 167.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.41 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -57.12 -28.97 63.15 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.187 0.903 . . . . 0.0 113.254 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -56.97 -23.79 48.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.152 1.381 . . . . 0.0 113.635 171.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.24 -42.61 93.18 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.791 1.236 . . . . 0.0 112.397 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.72 -3.69 54.34 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.555 1.542 . . . . 0.0 113.276 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 92.6 37.63 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.834 3.254 . . . . 0.0 112.331 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 67.72 90.39 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.589 3.156 . . . . 0.0 112.922 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.41 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 65.6 p -142.61 44.69 1.61 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.213 2.205 . . . . 0.0 109.857 -174.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.08 142.67 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.902 0.858 . . . . 0.0 111.553 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -53.46 0.82 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.784 1.659 . . . . 0.0 110.463 -164.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -68.94 -48.73 62.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.575 -0.956 . . . . 0.0 112.461 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.76 -44.28 93.93 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.493 0.588 . . . . 0.0 111.205 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.56 -51.39 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 128.004 2.522 . . . . 0.0 110.452 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -62.47 -57.21 12.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.903 0.481 . . . . 0.0 110.934 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -49.41 -39.26 31.98 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.271 1.428 . . . . 0.0 112.912 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.16 -37.93 75.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.532 1.06 . . . . 0.0 113.238 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.424 HG12 HD11 ' A' ' 65' ' ' ILE . 10.3 mm -64.1 -48.84 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.678 1.191 . . . . 0.0 109.548 168.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.48 -30.52 68.43 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.296 0.498 . . . . 0.0 111.637 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -46.25 90.61 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 126.784 2.034 . . . . 0.0 111.558 168.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.47 82.75 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -17.86 64.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.782 2.033 . . . . 0.0 113.401 -174.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.6 -33.71 73.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.686 1.195 . . . . 0.0 113.564 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -148.27 34.43 0.8 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -160.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 mt -44.21 -45.48 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 126.324 1.85 . . . . 0.0 112.616 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 127.973 2.509 . . . . 0.0 111.71 173.31 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.926 0.393 . . . . 0.0 111.726 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -122.98 100.38 6.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.069 1.748 . . . . 0.0 111.196 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 125.74 24.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.289 1.036 . . . . 0.0 111.303 168.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.3 t -148.99 116.36 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.058 1.743 . . . . 0.0 109.941 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -132.87 143.3 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 125.475 1.51 . . . . 0.0 114.024 -170.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.41 -179.25 6.63 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 127.527 2.331 . . . . 0.0 112.786 -173.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.61 95.1 3.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.608 1.963 . . . . 0.0 109.597 -163.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.37 -166.56 0.19 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.553 1.941 . . . . 0.0 113.1 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m -139.54 160.76 39.11 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 120.996 -1.065 . . . . 0.0 110.852 155.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.44 -50.94 38.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.522 1.129 . . . . 0.0 113.376 -164.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.78 -48.75 80.43 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.038 0.935 . . . . 0.0 112.568 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.53 -39.6 94.83 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.681 1.193 . . . . 0.0 111.985 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.93 -49.21 60.02 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.354 0.662 . . . . 0.0 112.257 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -35.27 76.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.8 1.24 . . . . 0.0 112.365 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -61.63 -41.1 97.0 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.0 0.818 . . . . 0.0 111.332 171.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.13 -33.76 65.72 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.91 -41.5 95.53 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.699 1.2 . . . . 0.0 113.596 173.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -32.37 73.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.058 0.543 . . . . 0.0 112.391 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.9 mtm -76.22 -34.34 59.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.496 1.118 . . . . 0.0 113.477 170.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.42 68.27 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.22 -23.52 56.06 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -71.66 -31.5 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.386 1.474 . . . . 0.0 113.395 171.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -86.43 -4.81 59.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.416 1.887 . . . . 0.0 113.266 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 80.17 41.79 0.06 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.593 2.757 . . . . 0.0 113.423 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.35 100.35 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 129.038 2.935 . . . . 0.0 113.559 -176.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m -152.79 36.24 0.49 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.401 1.881 . . . . 0.0 112.474 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -46.53 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -166.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.84 98.92 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-N 119.284 0.947 . . . . 0.0 112.31 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 m -68.85 -37.83 79.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.074 0.95 . . . . 0.0 111.907 175.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -45.32 93.02 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.696 0.798 . . . . 0.0 111.175 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.6 mt -56.32 -53.38 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.183 172.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -45.74 92.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 -175.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -57.73 -38.93 76.17 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 127.238 2.215 . . . . 0.0 113.038 175.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.5 -32.14 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.076 0.941 . . . . 0.0 112.734 -173.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.5 -45.33 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.584 1.153 . . . . 0.0 109.825 167.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.48 -37.67 71.29 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.245 -0.91 . . . . 0.0 110.812 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.56 -39.68 88.86 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.844 1.257 . . . . 0.0 111.696 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -38.19 57.14 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 72' ' ' ILE . 14.8 mt -64.65 -27.16 68.74 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.001 1.72 . . . . 0.0 113.562 -175.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.44 -22.33 54.07 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -155.86 52.37 0.57 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.076 1.35 . . . . 0.0 113.114 -172.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 69' ' ' LEU . 3.0 mt -47.5 -41.07 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 124.557 1.143 . . . . 0.0 113.289 175.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.152 0 C-N-CA 126.762 2.025 . . . . 0.0 111.732 175.246 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -79.21 116.87 19.74 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.365 1.866 . . . . 0.0 111.815 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 137.89 58.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.639 1.176 . . . . 0.0 111.147 166.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.9 t -138.97 116.31 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 127.879 2.472 . . . . 0.0 107.732 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -135.18 126.7 28.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.777 1.631 . . . . 0.0 110.921 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -136.64 169.77 17.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.03 1.732 . . . . 0.0 111.151 -164.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -132.27 83.54 2.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.127 1.371 . . . . 0.0 111.446 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -71.62 178.91 3.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.626 1.571 . . . . 0.0 112.455 170.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.4 m -137.23 164.81 27.64 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.702 1.201 . . . . 0.0 110.612 164.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -38.78 20.88 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.06 -51.31 67.19 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.164 1.347 . . . . 0.0 112.343 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.5 -38.24 89.16 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.464 1.506 . . . . 0.0 111.771 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -64.9 -46.34 82.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.094 0.958 . . . . 0.0 111.421 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.19 -39.36 75.27 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.373 1.069 . . . . 0.0 113.381 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.416 ' HB3' HD22 ' A' ' 69' ' ' LEU . 25.1 mmtt -56.39 -39.25 72.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.643 0.777 . . . . 0.0 112.311 170.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.16 -41.1 62.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 172.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.73 -38.72 86.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.457 1.103 . . . . 0.0 113.22 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -68.86 -30.36 68.87 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.7 mtm -72.19 -44.0 63.67 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.467 1.107 . . . . 0.0 112.317 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.429 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.48 -28.48 65.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.787 1.235 . . . . 0.0 113.677 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.04 -25.73 61.57 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.76 -25.23 63.72 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.724 1.21 . . . . 0.0 113.725 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -101.89 2.12 37.72 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.011 2.524 . . . . 0.0 112.746 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 74.53 46.87 0.14 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.529 2.731 . . . . 0.0 113.828 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 64.73 99.48 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.739 2.816 . . . . 0.0 114.091 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.429 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 69.6 p -150.03 22.57 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.179 1.791 . . . . 0.0 113.089 -170.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.1 m -44.5 -44.98 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -164.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.13 -39.39 89.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.265 0.936 . . . . 0.0 113.778 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -81.58 -36.72 28.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.991 1.316 . . . . 0.0 112.529 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.23 -37.93 78.73 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.635 0.774 . . . . 0.0 112.437 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.3 mt -52.45 -53.4 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.263 1.425 . . . . 0.0 110.0 173.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -61.89 -49.18 77.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.981 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -39.12 62.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.919 1.288 . . . . 0.0 111.871 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.3 -40.42 67.54 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.177 -0.952 . . . . 0.0 112.755 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.45 -42.11 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.815 1.246 . . . . 0.0 110.872 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -37.16 76.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.727 0.811 . . . . 0.0 109.941 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.68 -40.36 95.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.22 1.008 . . . . 0.0 112.565 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.63 97.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 111.797 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.31 -26.92 68.27 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.854 -1.154 . . . . 0.0 113.319 -174.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -63.28 -14.07 45.5 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -120.77 -19.53 7.32 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.408 1.483 . . . . 0.0 114.112 176.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.43 -36.48 77.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 124.859 1.264 . . . . 0.0 112.052 169.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.25 1.096 0 C-N-CA 126.215 1.806 . . . . 0.0 114.729 178.581 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.72 92.06 3.85 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.998 -1.064 . . . . 0.0 111.587 -174.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.13 144.7 39.45 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.99 0.916 . . . . 0.0 113.359 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.6 t -138.67 92.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.236 2.215 . . . . 0.0 108.094 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t -118.65 115.83 25.33 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.236 1.014 . . . . 0.0 111.715 -171.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.3 168.79 14.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.471 1.508 . . . . 0.0 113.157 -172.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -130.76 65.17 1.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.487 1.915 . . . . 0.0 110.88 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 11.2 m-85 -65.9 164.94 13.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.24 1.816 . . . . 0.0 112.726 -178.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -87.93 160.79 17.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.58 -0.7 . . . . 0.0 111.402 165.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -51.06 -39.86 56.95 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.044 0.537 . . . . 0.0 112.01 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.91 -54.74 33.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.019 1.328 . . . . 0.0 112.677 176.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.72 -33.09 75.14 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.413 0.685 . . . . 0.0 112.593 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -66.76 -50.03 64.01 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.9 1.28 . . . . 0.0 112.165 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -58.71 -35.09 72.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.186 0.994 . . . . 0.0 112.724 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.72 -24.3 66.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.1 1.36 . . . . 0.0 114.123 170.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -81.79 -47.79 12.42 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.081 1.31 . . . . 0.0 112.914 159.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.53 -38.97 64.28 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.619 1.1 . . . . 0.0 113.745 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -69.98 -30.4 67.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.034 0.934 . . . . 0.0 113.096 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 51.6 mtm -80.08 -40.53 27.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.162 0.985 . . . . 0.0 112.169 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.505 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.22 -34.1 71.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.554 1.542 . . . . 0.0 113.068 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.94 -27.55 68.91 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.904 -1.122 . . . . 0.0 113.969 172.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.04 -26.27 61.24 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.881 1.272 . . . . 0.0 112.995 170.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.86 0.48 54.84 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.887 2.075 . . . . 0.0 112.545 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 69.28 44.96 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.666 2.386 . . . . 0.0 112.965 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 69.2 110.66 0.05 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.756 3.222 . . . . 0.0 113.899 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.505 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 6.8 t -153.31 29.1 0.49 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.514 1.926 . . . . 0.0 110.765 -174.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.36 132.32 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.02 -1.675 . . . . 0.0 112.461 -174.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.74 -45.06 3.43 Favored Glycine 0 N--CA 1.472 1.062 0 C-N-CA 126.129 1.823 . . . . 0.0 112.044 -174.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 m -64.74 -31.58 72.87 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.167 -1.196 . . . . 0.0 112.095 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.23 -40.25 81.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.587 1.155 . . . . 0.0 112.375 167.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.415 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -62.31 -50.36 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.556 1.142 . . . . 0.0 110.721 176.82 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -60.47 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -61.92 -30.69 71.06 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.861 -1.15 . . . . 0.0 113.373 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -43.92 80.52 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.163 1.347 . . . . 0.0 111.8 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.3 mm -63.15 -43.0 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.595 1.158 . . . . 0.0 110.23 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.63 -32.47 67.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.418 0.687 . . . . 0.0 110.994 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -65.04 -45.71 84.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.77 1.228 . . . . 0.0 111.607 171.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.02 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.501 0.72 . . . . 0.0 112.895 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.97 69.21 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.055 1.342 . . . . 0.0 113.077 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -63.4 -21.74 66.46 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -158.59 50.47 0.39 Allowed 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.5 mm -48.36 -36.18 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.83 -1.169 . . . . 0.0 113.857 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 126.57 1.948 . . . . 0.0 110.705 176.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -82.79 175.01 10.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.431 1.092 . . . . 0.0 111.414 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 124.84 31.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.397 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.71 89.45 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.081 1.752 . . . . 0.0 108.541 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -112.07 119.72 39.41 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.712 1.205 . . . . 0.0 112.369 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.13 172.47 9.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.837 2.455 . . . . 0.0 111.053 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -136.4 82.86 1.97 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.057 1.743 . . . . 0.0 110.571 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -72.75 177.47 4.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.975 . . . . 0.0 110.741 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.1 m -126.01 173.23 9.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.658 0.783 . . . . 0.0 110.961 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -53.7 -38.11 63.94 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -165.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.4 -53.19 56.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.112 0.965 . . . . 0.0 112.899 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -57.72 -45.72 85.37 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.073 1.349 . . . . 0.0 111.229 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.57 -38.15 74.07 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.579 -0.7 . . . . 0.0 112.529 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -67.28 -41.13 85.96 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.808 0.843 . . . . 0.0 112.263 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -58.29 -43.69 88.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.779 0.718 . . . . 0.0 111.563 172.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.426 HD12 HG13 ' B' ' 61' ' ' ILE . 2.0 mm? -66.95 -37.74 84.83 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.99 -39.74 95.66 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.967 0.907 . . . . 0.0 113.249 171.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.05 -36.01 82.98 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.019 0.928 . . . . 0.0 111.977 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 48.6 mtp -73.06 -41.0 64.61 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.639 1.576 . . . . 0.0 112.143 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . . . -65.99 -15.42 63.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.046 1.738 . . . . 0.0 115.015 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.49 -21.88 18.51 Favored 'General case' 0 CA--C 1.556 1.196 0 O-C-N 121.107 -0.996 . . . . 0.0 113.385 166.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.21 -39.74 94.62 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.179 0.992 . . . . 0.0 113.081 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.8 3.49 54.26 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 128.154 2.581 . . . . 0.0 113.203 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 73.48 39.12 0.6 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.716 2.406 . . . . 0.0 113.22 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 62.11 131.09 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.163 3.385 . . . . 0.0 115.705 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.3 p -167.27 -32.32 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.373 1.869 . . . . 0.0 112.593 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t 55.9 -67.46 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 130.768 3.627 . . . . 0.0 115.678 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.09 97.2 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.989 1.268 . . . . 0.0 112.148 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -66.45 -36.78 83.63 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.689 -0.889 . . . . 0.0 111.71 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' B' ' 50' ' ' ALA . 4.6 t80 -65.67 -41.1 92.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.431 -0.793 . . . . 0.0 112.305 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.426 HG13 HD12 ' B' ' 46' ' ' LEU . 73.4 mt -55.26 -49.47 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.864 0.866 . . . . 0.0 109.016 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.07 -49.85 72.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.077 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -60.1 -35.91 76.27 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.272 -0.892 . . . . 0.0 112.62 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -68.35 -43.38 77.6 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.621 1.201 . . . . 0.0 112.587 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.84 -42.3 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 125.176 1.39 . . . . 0.0 110.524 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -70.81 -32.26 69.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.352 0.661 . . . . 0.0 110.887 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.9 -45.39 82.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.06 0.944 . . . . 0.0 112.045 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.44 77.83 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.523 0.729 . . . . 0.0 112.677 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -19.86 66.07 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.274 1.829 . . . . 0.0 114.009 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.88 -26.47 68.17 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 170.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -157.27 49.24 0.44 Allowed 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -170.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 19.4 mt -51.33 -44.02 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 O-C-N 120.827 -1.171 . . . . 0.0 113.789 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.25 1.108 0 C-N-CA 126.195 1.798 . . . . 0.0 114.965 -176.181 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.28 85.33 4.6 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.82 1.248 . . . . 0.0 111.21 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.17 129.8 41.04 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.938 1.695 . . . . 0.0 111.936 174.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.1 t -144.53 104.87 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.746 . . . . 0.0 110.651 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -109.89 129.92 55.59 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.893 1.277 . . . . 0.0 113.781 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.08 171.1 11.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.235 2.214 . . . . 0.0 112.554 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.38 78.21 1.79 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.333 1.853 . . . . 0.0 110.488 -166.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.36 169.3 17.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.822 2.049 . . . . 0.0 111.886 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.7 p -90.42 165.54 13.77 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.425 -0.797 . . . . 0.0 111.959 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.69 -44.53 73.47 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.996 0.518 . . . . 0.0 111.308 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -51.86 65.53 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.203 1.001 . . . . 0.0 111.473 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -58.28 -40.12 81.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.237 1.415 . . . . 0.0 112.258 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -66.67 -53.05 38.02 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.277 1.831 . . . . 0.0 111.582 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.96 -36.86 78.02 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.139 1.376 . . . . 0.0 112.892 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -39.24 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.911 0.885 . . . . 0.0 111.771 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.05 -38.65 61.31 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 172.373 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.66 -42.33 92.58 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.237 -0.914 . . . . 0.0 112.567 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.02 -35.83 82.0 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.97 1.308 . . . . 0.0 112.349 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.6 mtm -68.13 -45.28 74.05 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.825 1.25 . . . . 0.0 111.643 170.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -61.19 -26.44 67.72 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.736 1.215 . . . . 0.0 113.952 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.16 -26.68 66.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.683 1.129 . . . . 0.0 113.383 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -72.08 -30.57 65.24 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.114 -0.991 . . . . 0.0 112.68 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.49 -0.27 36.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.354 1.862 . . . . 0.0 113.066 166.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 68.68 44.45 1.17 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.395 2.278 . . . . 0.0 112.364 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 71.3 109.04 0.06 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 130.224 3.41 . . . . 0.0 114.129 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.486 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 3.7 t -155.11 23.53 0.43 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.53 1.532 . . . . 0.0 112.138 -169.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.35 128.76 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 120.276 -1.515 . . . . 0.0 110.413 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.75 -39.72 2.7 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.661 1.124 . . . . 0.0 113.334 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.7 m -75.76 -43.09 48.32 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.65 -0.912 . . . . 0.0 110.967 165.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.66 -43.8 69.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.187 1.395 . . . . 0.0 111.957 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' HD13 ' A' ' 46' ' ' LEU . 28.5 mt -47.87 -59.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.798 1.639 . . . . 0.0 110.175 171.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -60.04 -50.71 72.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.181 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -48.67 -46.23 40.0 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.192 0.905 . . . . 0.0 111.671 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.64 -41.17 79.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 112.496 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.428 HD11 HG13 ' B' ' 65' ' ' ILE . 17.2 mm -69.18 -38.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.678 1.591 . . . . 0.0 111.359 176.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -35.34 71.9 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.361 1.065 . . . . 0.0 110.361 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.93 -41.58 91.19 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.521 1.528 . . . . 0.0 112.348 171.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.08 94.44 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 112.429 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -25.4 68.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.144 1.377 . . . . 0.0 112.991 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.42 -33.94 68.42 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.963 1.305 . . . . 0.0 112.972 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -156.59 67.09 0.56 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.409 1.884 . . . . 0.0 113.078 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.7 mm -52.76 -40.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.584 1.154 . . . . 0.0 112.759 170.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.078 1.751 . . . . 0.0 113.96 179.034 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.91 0.386 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -83.26 171.51 13.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.583 1.553 . . . . 0.0 111.339 175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.74 17.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.839 1.656 . . . . 0.0 109.92 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 70.6 t -127.23 90.17 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 126.221 1.808 . . . . 0.0 108.622 -173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -109.8 120.84 43.72 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.089 1.356 . . . . 0.0 111.407 -170.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.9 159.25 24.13 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.324 1.85 . . . . 0.0 110.29 -168.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -137.43 87.99 2.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.186 1.394 . . . . 0.0 109.89 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -79.54 171.61 14.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.537 1.535 . . . . 0.0 112.176 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -122.88 172.16 8.68 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.135 1.374 . . . . 0.0 111.061 164.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -48.72 -52.9 21.16 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.225 1.41 . . . . 0.0 113.717 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.79 -54.79 40.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.213 1.005 . . . . 0.0 112.802 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.9 -44.1 82.02 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.215 1.406 . . . . 0.0 112.057 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.82 -43.3 72.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.051 0.541 . . . . 0.0 111.929 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.033 1.333 . . . . 0.0 111.749 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -61.54 -46.94 87.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.119 0.872 . . . . 0.0 111.126 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.424 HD13 HG12 ' B' ' 61' ' ' ILE . 1.8 mt -70.81 -24.82 62.63 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -43.33 73.44 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.044 1.338 . . . . 0.0 113.273 168.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.51 -34.97 76.41 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.647 -0.658 . . . . 0.0 112.214 174.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 67.8 mtp -70.7 -43.87 68.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.804 1.642 . . . . 0.0 112.213 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -26.59 66.74 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.452 1.101 . . . . 0.0 113.783 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.06 -25.39 61.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.915 0.886 . . . . 0.0 113.054 171.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.06 -27.34 63.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.078 0.951 . . . . 0.0 113.303 174.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -95.82 1.53 53.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.514 1.926 . . . . 0.0 112.624 169.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 76.85 50.49 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.664 2.785 . . . . 0.0 112.706 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 57.97 82.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.465 2.706 . . . . 0.0 114.099 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -138.38 62.1 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.566 1.946 . . . . 0.0 109.341 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -48.11 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.344 1.458 . . . . 0.0 113.938 -167.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.42 98.67 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 123.933 0.778 . . . . 0.0 111.766 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.77 -42.23 91.07 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.782 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.59 -41.25 93.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.659 1.118 . . . . 0.0 111.689 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.424 HG12 HD13 ' B' ' 46' ' ' LEU . 33.6 mt -54.87 -49.0 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.206 1.802 . . . . 0.0 109.329 173.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -57.94 -62.12 2.04 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 123.277 0.361 . . . . 0.0 110.704 172.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.81 -33.91 37.78 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.753 2.421 . . . . 0.0 112.605 -173.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.0 -41.63 81.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.428 HG13 HD11 ' A' ' 65' ' ' ILE . 69.1 mt -58.98 -41.98 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.15 1.38 . . . . 0.0 108.946 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -71.0 -37.46 72.67 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.602 -0.686 . . . . 0.0 111.249 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.04 -41.62 98.31 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.591 1.956 . . . . 0.0 111.862 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.23 81.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.037 0.935 . . . . 0.0 111.298 172.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.91 -33.16 71.5 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.073 1.349 . . . . 0.0 112.053 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -18.96 25.17 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.897 2.479 . . . . 0.0 115.507 170.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -111.08 -36.05 5.74 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.118 2.167 . . . . 0.0 112.859 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 62.9 mt -56.94 -40.15 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 126.698 1.999 . . . . 0.0 112.189 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.948 1.299 . . . . 0.0 112.895 172.731 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.47 74.22 6.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.684 1.594 . . . . 0.0 109.885 174.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 123.56 19.88 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.742 2.817 . . . . 0.0 112.164 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.82 99.87 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 126.831 2.052 . . . . 0.0 109.201 -173.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 t -108.83 114.2 27.78 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.138 1.375 . . . . 0.0 111.404 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.8 172.06 7.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.489 1.516 . . . . 0.0 112.538 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.79 75.27 1.59 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.692 2.397 . . . . 0.0 108.836 -170.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -73.56 177.35 5.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.933 1.693 . . . . 0.0 109.953 172.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.2 t -131.56 170.4 14.78 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.043 0.937 . . . . 0.0 111.584 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.45 -53.61 22.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.608 1.563 . . . . 0.0 113.458 -167.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.27 -49.23 76.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.204 0.911 . . . . 0.0 112.26 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -58.12 -45.83 86.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.248 1.419 . . . . 0.0 111.443 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.71 -44.36 74.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.332 1.453 . . . . 0.0 112.903 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -36.86 85.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 111.091 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -56.72 -50.11 73.15 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.42 0.688 . . . . 0.0 111.591 167.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD11 HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -60.06 -42.46 94.55 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.021 0.928 . . . . 0.0 113.077 176.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.62 -38.36 90.83 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 173.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.19 94.67 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.504 -0.747 . . . . 0.0 111.466 175.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 49.4 mtp -68.26 -41.17 81.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.532 1.933 . . . . 0.0 111.92 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -55.87 -33.35 64.49 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.02 1.728 . . . . 0.0 113.859 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.75 -22.97 67.1 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -13.73 60.68 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.263 1.425 . . . . 0.0 113.094 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.67 4.83 13.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.244 1.818 . . . . 0.0 111.859 171.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 66.74 62.36 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.508 2.723 . . . . 0.0 113.062 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 68.1 98.25 0.06 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.447 2.699 . . . . 0.0 114.773 171.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.504 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 18.2 p -154.36 30.15 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.878 2.071 . . . . 0.0 111.927 -170.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.64 124.85 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 120.624 -1.298 . . . . 0.0 111.818 -169.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.37 -45.52 2.22 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.603 1.573 . . . . 0.0 111.998 -175.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.0 m -63.51 -34.72 78.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.345 -1.091 . . . . 0.0 111.36 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.31 -40.52 90.87 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.268 1.027 . . . . 0.0 112.16 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.52 HG13 HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.47 -55.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.986 1.314 . . . . 0.0 107.822 171.329 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.13 -53.96 52.45 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -174.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.0 tpt85 -50.03 -39.48 41.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.824 2.45 . . . . 0.0 112.712 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -37.8 82.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.347 1.059 . . . . 0.0 113.065 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.421 HG13 HD11 ' B' ' 65' ' ' ILE . 75.0 mt -63.62 -41.22 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.486 1.515 . . . . 0.0 109.015 172.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.07 -38.61 75.8 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.306 0.642 . . . . 0.0 110.633 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -61.76 -48.29 81.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 125.979 1.712 . . . . 0.0 111.164 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.85 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.301 1.041 . . . . 0.0 113.224 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -26.13 68.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.804 1.642 . . . . 0.0 113.178 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -56.51 -41.61 76.98 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.678 1.191 . . . . 0.0 112.526 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -141.57 79.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.92 2.088 . . . . 0.0 111.286 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.4 mt -51.42 -40.66 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.173 0.989 . . . . 0.0 112.533 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 128.175 2.59 . . . . 0.0 114.799 177.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 121.025 0.44 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -94.57 99.23 11.41 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.526 1.531 . . . . 0.0 112.336 -175.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 124.45 20.77 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.502 1.521 . . . . 0.0 111.014 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 58.6 t -127.99 95.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.947 2.099 . . . . 0.0 109.126 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 t -115.34 123.6 49.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.068 1.347 . . . . 0.0 113.142 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.7 mt -142.5 165.34 27.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.705 1.602 . . . . 0.0 112.022 -162.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -129.18 97.41 4.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.861 2.065 . . . . 0.0 109.284 -173.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -72.26 -179.55 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.216 1.406 . . . . 0.0 112.121 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m -116.72 166.74 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.701 0.8 . . . . 0.0 111.374 162.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.47 -49.92 66.4 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.143 0.977 . . . . 0.0 112.871 -165.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.56 -52.29 66.29 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.799 1.24 . . . . 0.0 112.232 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.14 -43.27 82.28 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.405 1.482 . . . . 0.0 111.661 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -67.44 -43.05 82.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.017 0.527 . . . . 0.0 112.117 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.44 -33.98 76.27 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.787 1.235 . . . . 0.0 113.163 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.634 1.174 . . . . 0.0 110.528 171.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -39.26 92.69 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 172.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.21 -40.99 97.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.409 -0.807 . . . . 0.0 113.018 171.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.634 1.174 . . . . 0.0 111.954 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 23.6 mtm -67.77 -48.94 64.97 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.409 1.484 . . . . 0.0 111.765 169.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.6 -28.64 68.67 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.62 1.168 . . . . 0.0 113.542 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -27.14 66.08 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.531 1.06 . . . . 0.0 112.262 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -70.2 -32.36 70.23 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.488 1.115 . . . . 0.0 112.002 172.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -85.66 0.48 52.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.984 1.714 . . . . 0.0 112.485 170.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 74.15 48.4 0.13 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.671 2.788 . . . . 0.0 112.73 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 58.39 84.46 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.729 2.812 . . . . 0.0 114.104 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -141.32 43.49 1.77 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.474 2.31 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -46.59 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -168.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.0 98.13 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.858 0.742 . . . . 0.0 112.688 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 66.9 m -68.95 -38.9 79.72 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.642 -0.916 . . . . 0.0 111.626 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.84 -42.4 97.7 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.08 0.552 . . . . 0.0 111.68 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 mt -52.52 -52.94 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.534 1.534 . . . . 0.0 109.914 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -54.47 43.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.396 0.678 . . . . 0.0 110.886 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.33 -38.5 66.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.102 1.761 . . . . 0.0 113.069 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.0 -42.31 85.21 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.702 1.201 . . . . 0.0 111.973 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.421 HD11 HG13 ' A' ' 65' ' ' ILE . 23.3 mm -64.37 -47.55 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.266 1.826 . . . . 0.0 110.48 172.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -32.08 69.37 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.315 0.646 . . . . 0.0 110.563 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.5 -45.4 90.9 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.405 1.482 . . . . 0.0 111.905 169.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.89 82.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 172.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.51 -35.54 81.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.447 1.099 . . . . 0.0 111.687 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -59.47 -21.12 59.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.485 1.514 . . . . 0.0 114.466 170.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -101.76 -33.84 9.68 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.567 1.947 . . . . 0.0 112.894 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -63.71 -46.95 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.068 1.747 . . . . 0.0 110.935 173.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.65 1.58 . . . . 0.0 113.544 174.318 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -68.93 81.55 0.3 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.183 1.393 . . . . 0.0 111.35 170.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.11 123.53 15.58 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.398 1.079 . . . . 0.0 110.196 159.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -142.81 106.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.376 1.871 . . . . 0.0 109.092 -165.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -116.1 139.48 50.26 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.918 1.687 . . . . 0.0 112.566 -173.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -137.85 169.8 17.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.008 2.123 . . . . 0.0 111.703 -171.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.05 81.75 2.02 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.848 1.659 . . . . 0.0 111.001 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -79.62 -178.97 6.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.102 2.161 . . . . 0.0 112.464 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 m -143.41 167.43 22.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.095 1.358 . . . . 0.0 110.71 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.06 -57.13 6.22 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.405 1.482 . . . . 0.0 113.112 -161.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.32 -49.77 76.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.781 1.232 . . . . 0.0 112.809 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -62.53 -37.74 87.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.303 1.041 . . . . 0.0 112.016 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -67.92 -53.11 28.89 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.987 0.915 . . . . 0.0 111.303 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -33.62 75.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.582 1.153 . . . . 0.0 113.492 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -38.36 87.65 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.316 0.962 . . . . 0.0 111.914 169.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -36.08 61.01 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.09 -36.98 85.39 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.813 171.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.96 -37.66 87.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.359 1.464 . . . . 0.0 112.04 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 44.7 mtm -71.1 -44.35 65.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.51 0.724 . . . . 0.0 111.679 170.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.52 74.98 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.876 0.87 . . . . 0.0 113.331 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.52 -26.41 61.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.791 1.236 . . . . 0.0 113.885 174.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -82.54 -4.91 58.34 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.697 1.599 . . . . 0.0 113.324 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.79 0.93 6.72 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.324 2.649 . . . . 0.0 112.66 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 93.65 45.64 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.807 2.843 . . . . 0.0 113.991 170.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 47.83 78.38 0.08 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 128.104 2.562 . . . . 0.0 115.12 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -127.7 42.26 3.35 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.359 1.864 . . . . 0.0 110.508 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.18 -43.26 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.964 1.306 . . . . 0.0 113.512 -163.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -59.52 -39.31 94.81 Favored Glycine 0 N--CA 1.477 1.414 0 C-N-CA 124.682 1.134 . . . . 0.0 113.883 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -77.28 -35.83 54.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.308 1.043 . . . . 0.0 112.164 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.12 -42.32 98.32 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.59 -0.694 . . . . 0.0 111.517 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.408 HD12 ' HA2' ' A' ' 58' ' ' GLY . 21.1 mt -51.66 -57.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.97 1.308 . . . . 0.0 109.831 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.57 -47.67 84.66 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.536 0.684 . . . . 0.0 111.152 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -62.84 -30.15 71.28 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.914 -1.116 . . . . 0.0 113.39 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.79 -36.48 70.32 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.171 1.351 . . . . 0.0 113.035 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.89 -45.72 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.395 1.478 . . . . 0.0 109.822 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -36.07 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.673 0.789 . . . . 0.0 111.385 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -61.24 -41.22 96.51 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.872 1.269 . . . . 0.0 111.463 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.68 72.13 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 170.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.89 -26.61 68.68 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.911 1.684 . . . . 0.0 113.275 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.65 -22.99 58.22 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.385 1.074 . . . . 0.0 113.811 172.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -156.18 51.61 0.53 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.165 1.386 . . . . 0.0 113.522 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.3 mt -45.45 -43.42 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.114 1.366 . . . . 0.0 113.731 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.673 1.989 . . . . 0.0 110.88 177.615 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -103.86 107.53 18.45 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.544 1.138 . . . . 0.0 112.228 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.03 131.12 47.56 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.269 1.027 . . . . 0.0 111.021 168.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.83 103.55 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 127.213 2.205 . . . . 0.0 109.32 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -125.4 137.79 54.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.47 178.09 7.56 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 126.949 2.099 . . . . 0.0 112.441 -174.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -137.01 88.02 2.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.834 2.054 . . . . 0.0 109.631 -167.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.81 -177.61 2.87 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.252 1.021 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -130.95 167.47 18.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.735 0.814 . . . . 0.0 111.169 163.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -51.23 -43.36 61.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -165.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.98 -49.97 72.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.056 0.942 . . . . 0.0 112.616 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.78 -44.05 97.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.139 1.375 . . . . 0.0 111.56 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.54 -39.63 94.11 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.503 -0.748 . . . . 0.0 111.611 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.45 -40.45 81.07 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.543 1.137 . . . . 0.0 112.669 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.08 94.39 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.875 0.762 . . . . 0.0 112.153 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.59 -43.23 90.33 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.793 -0.567 . . . . 0.0 112.167 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.44 -38.33 83.79 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.066 0.947 . . . . 0.0 113.311 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -37.83 88.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.053 0.941 . . . . 0.0 112.048 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtm -72.99 -45.32 58.56 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.077 0.951 . . . . 0.0 111.685 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.58 79.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.89 0.876 . . . . 0.0 112.905 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -58.6 -27.54 64.76 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.013 -1.055 . . . . 0.0 113.658 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.49 -21.8 59.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.444 1.498 . . . . 0.0 113.325 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.16 -5.73 25.23 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.135 2.174 . . . . 0.0 113.061 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 98.54 42.42 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 129.728 3.211 . . . . 0.0 113.37 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 57.64 72.53 0.51 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.321 2.648 . . . . 0.0 114.042 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 71.5 p -113.66 26.82 10.05 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.692 2.397 . . . . 0.0 112.176 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.93 -45.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -153.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.92 -40.64 98.65 Favored Glycine 0 N--CA 1.475 1.267 0 O-C-N 121.356 -0.84 . . . . 0.0 113.568 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.6 m -71.87 -35.78 69.91 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.515 -0.991 . . . . 0.0 112.051 172.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.93 -41.73 96.77 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.323 0.649 . . . . 0.0 112.07 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.53 -47.32 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.081 1.352 . . . . 0.0 110.099 176.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.82 -47.23 75.74 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 112.137 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -55.94 -38.56 70.47 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.968 -1.083 . . . . 0.0 112.887 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.61 -40.29 80.45 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.292 0.951 . . . . 0.0 112.257 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.53 -50.24 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.805 1.242 . . . . 0.0 109.651 170.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.71 -34.63 78.28 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.396 0.678 . . . . 0.0 110.847 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.13 -46.53 83.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.935 1.294 . . . . 0.0 111.555 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.35 62.83 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.77 -14.22 61.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.142 1.377 . . . . 0.0 112.978 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -59.59 -21.14 59.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.628 1.171 . . . . 0.0 113.753 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -89.93 -8.87 50.78 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.212 1.405 . . . . 0.0 114.542 170.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 38.9 mm -111.51 -30.43 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 C-N-CA 126.861 2.064 . . . . 0.0 112.097 -169.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.248 1.025 0 C-N-CA 126.81 2.044 . . . . 0.0 112.693 166.399 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.464 0.173 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -85.45 78.38 9.72 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.357 1.063 . . . . 0.0 111.001 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 127.59 32.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.421 1.489 . . . . 0.0 110.898 168.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.2 t -139.73 110.81 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.95 1.7 . . . . 0.0 109.697 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.2 t -112.49 120.5 41.84 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.961 2.105 . . . . 0.0 111.642 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.36 168.15 19.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.476 1.911 . . . . 0.0 112.339 -170.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -127.69 90.94 3.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.42 1.888 . . . . 0.0 110.623 -169.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -83.75 176.97 8.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.921 2.089 . . . . 0.0 111.882 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -133.0 168.63 18.14 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.725 0.81 . . . . 0.0 112.087 173.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -56.74 -43.07 80.35 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.95 1.3 . . . . 0.0 112.994 -159.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.2 -56.31 22.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.172 0.989 . . . . 0.0 111.934 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -59.37 -39.83 84.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.86 1.264 . . . . 0.0 111.539 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.48 -52.84 59.66 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.021 1.329 . . . . 0.0 111.199 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.03 -40.39 95.54 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.921 1.289 . . . . 0.0 112.387 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -41.56 91.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.335 0.654 . . . . 0.0 111.6 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.23 -31.96 62.8 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -65.08 -37.98 89.28 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -41.75 88.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.979 0.912 . . . . 0.0 111.37 175.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.1 mtm -72.22 -39.37 68.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.905 1.282 . . . . 0.0 112.536 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.51 66.44 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.724 1.21 . . . . 0.0 113.603 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.86 -28.1 65.78 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.799 1.181 . . . . 0.0 113.161 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.36 -28.43 64.05 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.836 1.254 . . . . 0.0 112.208 172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -90.48 3.63 53.38 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.156 1.783 . . . . 0.0 111.928 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . 0.252 0.4 OUTLIER 64.06 54.41 1.68 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.25 2.62 . . . . 0.0 113.422 -177.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 56.66 84.55 0.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.683 2.793 . . . . 0.0 113.945 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -140.72 37.6 1.82 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 127.297 2.239 . . . . 0.0 111.03 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -47.12 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 126.06 1.744 . . . . 0.0 114.644 -170.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.35 93.96 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.242 0.925 . . . . 0.0 113.08 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -75.96 -38.88 57.04 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.37 1.468 . . . . 0.0 112.116 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -61.64 -43.87 98.05 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.934 0.788 . . . . 0.0 110.95 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.6 mt -51.22 -54.69 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.683 1.193 . . . . 0.0 109.246 173.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.02 -57.05 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -51.74 -34.7 40.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.458 2.303 . . . . 0.0 113.817 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -64.08 -40.42 96.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.809 1.244 . . . . 0.0 112.535 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.81 -43.26 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.061 1.744 . . . . 0.0 110.276 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -66.87 -37.99 85.47 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.74 0.7 . . . . 0.0 110.983 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.54 -43.34 94.3 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.143 1.777 . . . . 0.0 111.393 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.4 75.93 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.545 0.738 . . . . 0.0 112.829 171.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.5 -27.32 69.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.918 1.687 . . . . 0.0 112.945 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -58.44 -27.52 64.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.791 1.236 . . . . 0.0 113.052 174.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -154.95 67.57 0.68 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.598 1.959 . . . . 0.0 112.483 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.52 -49.3 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.685 1.194 . . . . 0.0 112.687 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.82 1.648 . . . . 0.0 112.921 177.776 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -85.03 163.89 18.58 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.989 0.916 . . . . 0.0 110.807 170.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.68 126.02 39.24 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.598 . . . . 0.0 110.492 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.57 90.74 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.437 1.895 . . . . 0.0 108.744 -177.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -111.59 116.77 31.38 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.313 1.045 . . . . 0.0 111.533 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.13 178.06 7.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.273 1.429 . . . . 0.0 113.096 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -137.23 92.97 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.984 -167.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -76.28 176.03 8.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.583 1.553 . . . . 0.0 111.368 166.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -127.42 173.67 9.63 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.816 0.846 . . . . 0.0 110.622 162.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.27 -28.62 69.85 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -159.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.44 -53.94 44.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 111.936 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.0 -46.47 85.19 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.841 1.256 . . . . 0.0 110.779 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.36 -39.23 93.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.571 0.748 . . . . 0.0 111.887 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -44.25 89.28 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.477 1.111 . . . . 0.0 111.806 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -60.72 -40.63 93.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.614 0.766 . . . . 0.0 112.525 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.6 -44.39 86.76 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.586 0.63 . . . . 0.0 111.768 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.74 -39.14 83.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -63.0 -36.05 82.26 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.024 1.329 . . . . 0.0 112.581 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.6 mtm -72.91 -47.86 42.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.557 1.143 . . . . 0.0 111.339 169.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.428 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -60.57 -28.55 68.55 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 124.87 1.268 . . . . 0.0 113.242 -176.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -57.37 -28.48 63.21 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.792 1.178 . . . . 0.0 113.139 172.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -70.33 -31.19 68.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.303 1.041 . . . . 0.0 112.36 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -88.75 1.68 54.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.987 2.115 . . . . 0.0 112.5 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 74.99 46.88 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.49 2.716 . . . . 0.0 113.278 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.67 85.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.83 3.252 . . . . 0.0 114.592 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.428 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 78.4 p -124.77 28.27 6.56 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.418 2.687 . . . . 0.0 112.361 -175.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -44.8 -49.42 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 126.246 1.819 . . . . 0.0 115.227 -155.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.14 -42.16 98.44 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.109 0.868 . . . . 0.0 113.328 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 38.3 m -68.99 -36.96 78.43 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.445 -1.033 . . . . 0.0 111.764 171.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.6 -40.4 94.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.562 0.619 . . . . 0.0 112.195 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.77 -51.18 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.467 1.507 . . . . 0.0 109.246 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -57.75 -58.46 8.28 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.373 0.269 . . . . 0.0 110.898 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -49.42 -37.53 25.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.76 2.424 . . . . 0.0 113.156 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.91 -38.38 72.98 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.049 1.34 . . . . 0.0 113.073 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.1 mm -55.0 -50.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.365 1.466 . . . . 0.0 108.662 168.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.1 -36.23 77.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.067 0.547 . . . . 0.0 110.845 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.33 -39.52 93.33 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.276 1.83 . . . . 0.0 112.181 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.5 73.83 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.945 0.898 . . . . 0.0 112.803 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -66.49 -22.64 66.19 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.986 1.714 . . . . 0.0 113.733 -174.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -52.1 -35.08 46.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.414 1.086 . . . . 0.0 113.215 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -156.86 78.1 0.9 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 127.15 2.18 . . . . 0.0 110.695 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 mt -47.59 -49.08 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.968 1.707 . . . . 0.0 112.222 175.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 127.646 2.378 . . . . 0.0 112.098 177.659 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.41 0.148 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -104.06 93.83 5.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.231 1.412 . . . . 0.0 112.479 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.63 117.68 3.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.518 2.327 . . . . 0.0 111.553 160.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG11 HD13 ' B' ' 61' ' ' ILE . 53.4 t -141.12 99.2 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.604 1.562 . . . . 0.0 109.779 -174.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -114.29 118.98 35.44 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.899 1.28 . . . . 0.0 112.459 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -122.8 169.47 11.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.017 2.127 . . . . 0.0 111.949 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -128.81 80.45 1.97 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.068 1.747 . . . . 0.0 110.184 -165.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.05 168.65 19.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.213 1.805 . . . . 0.0 110.488 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -95.16 169.07 10.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.541 -0.725 . . . . 0.0 112.275 169.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -53.48 -41.67 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.247 0.619 . . . . 0.0 111.485 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.28 -55.25 34.02 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.511 1.125 . . . . 0.0 112.185 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -57.93 -41.57 83.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.056 0.142 . . . . 0.0 110.909 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.57 -47.12 82.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.108 0.963 . . . . 0.0 112.626 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -36.25 83.7 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.381 0.673 . . . . 0.0 112.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.96 -41.21 91.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.566 1.076 . . . . 0.0 111.855 169.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.53 -43.76 89.02 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.07 -43.65 87.06 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.257 0.935 . . . . 0.0 112.446 171.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.52 -26.78 66.5 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.301 -0.874 . . . . 0.0 112.806 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.71 -49.85 23.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 163.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -58.61 -27.95 65.15 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.818 1.647 . . . . 0.0 113.993 -177.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.14 -26.14 64.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.484 1.038 . . . . 0.0 113.07 171.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.04 -29.89 68.12 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.179 -0.95 . . . . 0.0 112.663 172.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -93.24 1.95 56.83 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.693 1.997 . . . . 0.0 112.161 171.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 70.93 49.44 0.36 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.414 2.686 . . . . 0.0 112.977 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 64.42 104.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 130.175 3.39 . . . . 0.0 114.702 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.519 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 61.8 p -148.09 24.47 1.04 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.265 2.226 . . . . 0.0 112.113 -171.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.02 122.32 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.247 1.019 . . . . 0.0 110.489 -171.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . 116.71 -58.57 0.48 Allowed Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.123 1.344 . . . . 0.0 110.909 -171.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -64.12 -44.07 93.38 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.626 0.77 . . . . 0.0 110.949 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -55.37 -42.37 73.86 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.494 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' A' ' 58' ' ' GLY . 50.9 mt -58.34 -53.1 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.874 1.27 . . . . 0.0 109.466 178.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -59.68 -50.36 74.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.915 0.388 . . . . 0.0 110.573 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -55.35 -36.82 66.73 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.759 1.623 . . . . 0.0 112.494 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -69.8 -43.72 71.49 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.411 1.084 . . . . 0.0 112.792 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.56 -41.97 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.824 1.249 . . . . 0.0 109.985 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.58 -38.3 77.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.498 1.119 . . . . 0.0 110.745 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -61.32 -43.35 99.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.555 1.542 . . . . 0.0 111.67 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.12 86.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.247 1.019 . . . . 0.0 112.643 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -29.03 69.99 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.22 1.408 . . . . 0.0 112.562 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -29.57 64.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.685 1.594 . . . . 0.0 114.162 171.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -158.3 58.37 0.46 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.148 1.779 . . . . 0.0 113.435 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.96 -50.91 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.099 0.96 . . . . 0.0 111.945 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.726 1.61 . . . . 0.0 113.332 175.353 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.592 0.234 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.93 173.59 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.578 1.551 . . . . 0.0 111.616 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.96 117.41 21.68 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.209 1.404 . . . . 0.0 111.234 -175.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.411 HG13 HD13 ' A' ' 61' ' ' ILE . 45.9 t -126.03 90.11 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.608 1.963 . . . . 0.0 109.093 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 17.5 t -109.57 126.35 53.5 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.64 0.776 . . . . 0.0 111.491 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -120.64 163.0 18.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.514 1.926 . . . . 0.0 111.372 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -127.02 81.05 1.99 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.747 2.019 . . . . 0.0 108.91 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.31 178.63 5.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.595 1.558 . . . . 0.0 111.549 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -138.49 -179.73 5.98 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.535 1.134 . . . . 0.0 110.836 168.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -52.52 -53.14 49.98 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.02 1.328 . . . . 0.0 113.168 -164.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.98 -51.95 67.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.412 1.085 . . . . 0.0 112.649 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -56.28 -48.41 76.67 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.536 1.534 . . . . 0.0 111.105 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -67.18 -40.18 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.683 0.793 . . . . 0.0 111.895 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.49 -45.08 85.0 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.504 1.122 . . . . 0.0 112.582 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -40.79 94.81 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.794 0.724 . . . . 0.0 111.799 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.494 HD13 ' CG1' ' B' ' 61' ' ' ILE . 0.6 OUTLIER -67.14 -39.52 86.57 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.102 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.95 -40.2 94.72 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.354 -0.842 . . . . 0.0 112.679 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.79 -38.13 84.29 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.373 1.069 . . . . 0.0 111.732 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mtm -66.77 -44.75 80.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.016 1.327 . . . . 0.0 112.289 168.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.497 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.84 -20.68 58.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.488 1.515 . . . . 0.0 114.579 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.66 -26.56 63.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.581 1.082 . . . . 0.0 113.396 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -70.75 -30.61 67.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.394 1.078 . . . . 0.0 112.474 172.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.3 2.73 46.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.826 1.65 . . . . 0.0 112.261 169.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 66.07 48.78 1.67 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.574 2.35 . . . . 0.0 112.296 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 62.38 99.34 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 129.207 3.003 . . . . 0.0 113.923 -172.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.497 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 3.1 t -146.02 39.84 1.13 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.1 1.36 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.45 116.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.778 1.231 . . . . 0.0 110.133 -173.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLY . . . . . 0.423 ' HA2' HD12 ' B' ' 61' ' ' ILE . . . 122.81 -58.87 0.6 Allowed Glycine 0 N--CA 1.471 1.012 0 C-N-CA 125.227 1.394 . . . . 0.0 110.676 -170.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -63.13 -38.36 90.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.352 -1.087 . . . . 0.0 111.184 171.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -40.55 87.68 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.576 0.751 . . . . 0.0 112.841 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.494 ' CG1' HD13 ' B' ' 46' ' ' LEU . 6.5 mt -56.72 -52.09 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.015 1.326 . . . . 0.0 110.144 175.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -58.03 10.08 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 110.423 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -55.92 -36.21 67.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.184 1.794 . . . . 0.0 112.105 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -63.49 -49.2 74.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.513 1.052 . . . . 0.0 111.968 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.2 mm -64.07 -43.79 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 126.149 1.78 . . . . 0.0 110.517 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.65 -32.66 70.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.085 0.954 . . . . 0.0 110.703 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -68.37 -46.96 68.64 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.507 1.523 . . . . 0.0 111.694 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.08 73.29 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.193 0.997 . . . . 0.0 112.391 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.55 -27.14 68.4 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.66 1.584 . . . . 0.0 113.184 -177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -59.2 -39.87 83.97 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.301 1.04 . . . . 0.0 112.63 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -146.5 78.11 1.5 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.595 1.958 . . . . 0.0 112.706 171.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.56 -36.01 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.041 0.536 . . . . 0.0 111.352 163.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 128.433 2.693 . . . . 0.0 111.222 169.902 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.745 0.307 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -116.81 105.81 12.79 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.828 1.651 . . . . 0.0 111.545 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 132.59 54.31 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.403 0.681 . . . . 0.0 111.216 170.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.4 95.24 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.718 2.007 . . . . 0.0 108.389 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -115.49 109.25 17.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.413 1.485 . . . . 0.0 110.573 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.6 163.17 23.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.585 1.154 . . . . 0.0 112.94 -164.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -126.76 79.04 1.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.796 1.638 . . . . 0.0 110.243 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 32.6 m-85 -77.35 166.3 23.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.541 1.936 . . . . 0.0 111.374 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -122.51 172.34 8.44 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.293 0.637 . . . . 0.0 111.596 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -53.85 -54.12 42.99 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.757 1.223 . . . . 0.0 112.776 -160.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.28 -53.21 59.93 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.026 0.93 . . . . 0.0 112.745 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -58.49 -41.38 85.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.092 0.957 . . . . 0.0 111.0 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.53 -49.16 51.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.722 0.809 . . . . 0.0 112.437 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.847 1.259 . . . . 0.0 112.687 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.03 98.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.616 -0.677 . . . . 0.0 110.706 171.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.31 -33.17 75.13 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.0 -41.23 95.58 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.3 -0.875 . . . . 0.0 112.165 171.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -63.56 -36.56 84.18 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.051 0.94 . . . . 0.0 112.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.0 mtp -69.09 -47.14 65.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.875 1.67 . . . . 0.0 111.362 171.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -61.67 -25.3 67.31 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 126.342 1.857 . . . . 0.0 113.8 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -58.1 -25.62 61.58 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.585 1.084 . . . . 0.0 112.877 170.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -75.1 -25.4 58.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.01 0.924 . . . . 0.0 113.438 172.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -87.09 1.03 54.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.206 1.802 . . . . 0.0 112.017 166.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 73.8 44.65 0.27 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.245 2.618 . . . . 0.0 112.473 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 59.3 91.4 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 129.747 3.219 . . . . 0.0 113.424 -175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 7.5 t -140.72 40.05 1.85 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.808 2.043 . . . . 0.0 110.005 -176.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.63 138.09 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.754 1.222 . . . . 0.0 111.439 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.48 -54.02 1.75 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 125.381 1.467 . . . . 0.0 110.637 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.6 t -62.9 -39.78 95.56 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.191 -1.182 . . . . 0.0 111.085 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.92 -38.6 70.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.329 1.052 . . . . 0.0 112.768 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.53 -54.68 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 124.271 1.028 . . . . 0.0 109.679 173.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -63.69 -49.67 72.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.96 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -48.19 -43.21 31.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.196 1.398 . . . . 0.0 111.636 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -38.31 56.45 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.3 -42.81 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.403 1.081 . . . . 0.0 109.913 170.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -38.75 78.67 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 109.837 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.74 -39.79 92.81 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.315 1.446 . . . . 0.0 112.561 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.67 71.15 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.103 0.961 . . . . 0.0 111.152 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.62 -27.41 69.22 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.74 1.616 . . . . 0.0 113.653 -172.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -57.39 -33.98 68.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.322 1.049 . . . . 0.0 113.279 170.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -158.39 67.58 0.46 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.613 1.565 . . . . 0.0 112.94 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.07 -49.71 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.793 0.837 . . . . 0.0 112.229 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.981 1.712 . . . . 0.0 113.273 -176.738 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 121.366 0.603 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.19 166.17 13.09 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.402 1.881 . . . . 0.0 110.885 173.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.93 118.63 16.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.12 1.368 . . . . 0.0 110.784 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 t -133.59 90.09 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.239 1.416 . . . . 0.0 110.266 -165.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 26.4 t -101.09 118.76 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.993 1.717 . . . . 0.0 112.929 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -125.24 172.77 9.28 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.366 2.267 . . . . 0.0 112.284 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -130.85 90.53 2.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.082 2.153 . . . . 0.0 109.967 -177.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -77.55 174.25 11.09 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 126.486 1.914 . . . . 0.0 111.576 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.5 p -115.41 172.72 6.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.149 0.98 . . . . 0.0 113.622 168.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.53 -44.24 65.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.303 1.441 . . . . 0.0 111.81 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.86 -55.75 23.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.905 1.282 . . . . 0.0 112.082 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -56.9 -38.5 72.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.475 1.91 . . . . 0.0 112.161 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.61 -48.11 42.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.81 1.244 . . . . 0.0 111.601 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.44 -40.57 97.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.559 1.144 . . . . 0.0 112.93 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -57.74 -42.36 83.73 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.086 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.403 HD13 HG12 ' B' ' 61' ' ' ILE . 4.8 mt -81.33 -23.95 37.46 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.85 -41.56 95.6 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.367 -0.833 . . . . 0.0 112.596 169.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.46 -40.1 81.74 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.764 1.226 . . . . 0.0 111.698 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 82.7 mtp -73.51 -40.18 64.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.025 1.73 . . . . 0.0 112.713 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.87 -27.36 65.1 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 113.175 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -58.2 -25.25 61.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.297 -0.877 . . . . 0.0 113.279 171.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.94 -25.26 61.81 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.217 1.007 . . . . 0.0 113.372 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.03 -3.11 51.93 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.603 1.561 . . . . 0.0 112.226 168.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 77.43 50.0 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.628 2.771 . . . . 0.0 112.212 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.9 100.59 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.927 3.291 . . . . 0.0 114.205 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.54 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 96.8 p -143.65 30.76 1.33 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.712 2.405 . . . . 0.0 110.769 -175.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.75 139.28 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.246 -0.909 . . . . 0.0 111.312 -175.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.75 -52.27 2.63 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.963 1.268 . . . . 0.0 110.983 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -64.53 -43.74 93.04 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.979 -0.719 . . . . 0.0 110.521 171.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -38.28 86.89 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.583 -0.698 . . . . 0.0 112.7 174.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.403 HG12 HD13 ' B' ' 46' ' ' LEU . 89.1 mt -57.23 -48.8 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 109.133 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -59.75 -52.88 63.59 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.006 0.522 . . . . 0.0 112.006 174.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -50.93 -44.46 60.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.963 1.705 . . . . 0.0 112.008 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -64.11 -44.21 92.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.298 1.047 . . . . 0.0 111.838 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.69 -51.83 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.84 1.656 . . . . 0.0 110.242 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.61 -19.48 60.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -72.71 -45.17 60.14 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 127.572 2.349 . . . . 0.0 111.582 168.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.8 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.103 0.961 . . . . 0.0 112.169 174.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.1 -39.43 66.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.773 2.029 . . . . 0.0 111.67 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -60.52 -18.98 55.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 114.168 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 -30.08 8.69 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.468 1.907 . . . . 0.0 113.288 173.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.98 -45.28 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.977 1.311 . . . . 0.0 111.159 175.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.428 1.891 . . . . 0.0 113.097 176.705 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 122.057 0.932 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -117.8 96.84 5.54 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.078 1.751 . . . . 0.0 110.768 174.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 129.35 41.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.396 1.078 . . . . 0.0 111.722 170.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -145.2 112.7 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.181 1.792 . . . . 0.0 109.221 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -122.53 140.82 52.34 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.836 1.255 . . . . 0.0 113.418 -168.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.93 164.12 27.65 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.033 -172.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -129.09 72.44 1.47 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.698 1.199 . . . . 0.0 110.546 -164.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -73.78 168.07 20.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.425 1.89 . . . . 0.0 112.95 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -95.15 163.97 13.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 123.494 0.718 . . . . 0.0 112.019 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.51 -49.25 46.64 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.407 0.683 . . . . 0.0 111.344 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.41 -60.0 4.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 113.347 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.98 -30.65 71.08 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -70.3 -50.29 40.85 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.935 -1.103 . . . . 0.0 113.017 172.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.02 -33.89 75.2 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.408 0.683 . . . . 0.0 112.325 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -34.47 72.24 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.098 1.359 . . . . 0.0 112.995 169.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -47.68 47.86 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.721 1.146 . . . . 0.0 112.458 164.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.99 -36.68 70.64 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.363 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.28 -39.07 89.16 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 0.0 111.99 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 23.3 ttp -72.5 -43.62 63.37 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.11 1.364 . . . . 0.0 112.246 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.42 -28.37 66.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.798 2.039 . . . . 0.0 114.186 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.96 -22.57 60.41 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -70.66 -31.87 68.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.729 1.212 . . . . 0.0 113.573 171.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.42 -0.91 57.7 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.228 2.211 . . . . 0.0 113.168 169.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 73.7 45.67 0.23 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.899 2.48 . . . . 0.0 112.857 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 65.27 102.78 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 129.371 3.068 . . . . 0.0 114.457 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.473 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 92.9 p -143.47 36.94 1.34 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.421 2.288 . . . . 0.0 110.615 -177.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.43 126.59 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 120.77 -1.206 . . . . 0.0 111.678 -169.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.32 -44.0 2.33 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 125.759 1.647 . . . . 0.0 112.218 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.1 m -66.34 -33.33 75.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.204 -1.174 . . . . 0.0 111.903 168.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 49' ' ' MET . 1.4 t80 -60.6 -41.78 95.45 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.435 -0.791 . . . . 0.0 112.065 170.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -48.71 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.007 0.923 . . . . 0.0 109.508 173.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -63.73 -47.35 81.41 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -55.85 -40.31 72.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.348 1.059 . . . . 0.0 112.809 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -38.68 87.07 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.281 1.032 . . . . 0.0 112.385 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.471 HG21 HD11 ' B' ' 46' ' ' LEU . 7.4 mm -77.55 -35.22 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.572 1.149 . . . . 0.0 111.696 177.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -34.94 78.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 110.628 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.73 -45.33 86.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 112.204 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.71 87.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.894 0.878 . . . . 0.0 112.988 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.33 -16.3 63.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.798 1.639 . . . . 0.0 113.892 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -59.64 -28.97 67.7 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -159.79 48.02 0.28 Allowed 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -168.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.5 mm -49.71 -37.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 124.624 1.17 . . . . 0.0 113.486 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 N--CA 1.483 1.199 0 C-N-CA 128.603 2.761 . . . . 0.0 113.982 177.427 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 123.197 1.475 . . . . 0.0 114.35 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -86.09 101.4 12.92 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.736 -1.574 . . . . 0.0 111.38 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 122.58 14.78 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.125 0.97 . . . . 0.0 111.168 169.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.5 88.65 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.245 2.218 . . . . 0.0 108.515 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 18.3 t -101.45 135.75 42.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.111 0.964 . . . . 0.0 112.241 -177.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.1 mt -125.79 156.57 39.29 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.54 1.936 . . . . 0.0 110.141 -170.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.04 80.23 1.88 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.148 1.379 . . . . 0.0 110.035 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -70.39 176.96 3.63 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.876 1.27 . . . . 0.0 111.483 166.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -126.44 178.71 5.69 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.709 0.804 . . . . 0.0 110.063 156.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -45.73 -47.82 15.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.469 1.507 . . . . 0.0 114.481 -160.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.83 -55.64 27.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.028 0.931 . . . . 0.0 112.442 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.93 -36.26 82.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.634 1.174 . . . . 0.0 112.884 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -64.36 -47.42 79.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.35 1.06 . . . . 0.0 111.709 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.46 -35.97 81.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.314 1.045 . . . . 0.0 112.782 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -57.88 -43.49 86.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.094 1.357 . . . . 0.0 111.981 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.507 HD13 HG12 ' B' ' 61' ' ' ILE . 10.2 mt -75.53 -31.76 60.23 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.0 -38.62 91.55 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 170.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -37.48 87.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.296 1.038 . . . . 0.0 111.455 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.57 -48.07 76.37 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.796 1.238 . . . . 0.0 111.706 168.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -32.17 71.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.274 1.03 . . . . 0.0 113.426 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.25 -21.97 50.45 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.16 1.384 . . . . 0.0 113.522 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.49 -26.85 63.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.612 1.165 . . . . 0.0 113.456 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -99.61 -18.57 17.26 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.54 1.936 . . . . 0.0 112.996 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . 0.253 19.1 tt0 114.21 54.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 131.227 3.811 . . . . 0.0 112.25 168.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.267 9.0 pt-20 48.1 70.43 0.44 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.692 2.397 . . . . 0.0 114.328 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.3 t -132.52 49.16 2.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.581 1.952 . . . . 0.0 108.958 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.73 129.2 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.716 1.206 . . . . 0.0 111.864 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.75 -55.06 0.67 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 126.103 1.811 . . . . 0.0 110.318 -170.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.9 m -70.91 -42.58 69.74 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.477 -1.013 . . . . 0.0 112.773 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.46 -42.28 98.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.298 1.046 . . . . 0.0 111.717 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.507 HG12 HD13 ' B' ' 46' ' ' LEU . 27.8 mt -57.49 -49.64 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 127.826 2.451 . . . . 0.0 110.171 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -60.19 -53.59 55.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.952 0.501 . . . . 0.0 111.209 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -50.18 -41.12 48.75 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.401 1.08 . . . . 0.0 112.416 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.14 -39.78 65.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.958 0.903 . . . . 0.0 113.347 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.61 -46.68 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.394 1.078 . . . . 0.0 109.796 170.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -32.76 70.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.398 0.679 . . . . 0.0 110.378 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.79 -42.04 99.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.555 1.142 . . . . 0.0 112.352 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.4 83.42 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 171.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -22.2 61.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.164 1.386 . . . . 0.0 113.392 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -58.82 -22.62 59.0 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 165.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -155.07 48.07 0.54 Allowed 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.98 -41.28 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.253 1.021 . . . . 0.0 112.513 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 126.589 1.955 . . . . 0.0 110.816 174.468 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.983 0.42 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -123.55 125.58 45.13 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.883 2.073 . . . . 0.0 111.863 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.27 125.19 28.72 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.285 1.034 . . . . 0.0 111.124 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.36 87.84 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.701 1.6 . . . . 0.0 109.043 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 t -110.41 119.63 39.83 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.88 1.272 . . . . 0.0 112.743 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -131.15 168.02 18.15 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.569 2.347 . . . . 0.0 111.663 -172.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -128.59 88.4 2.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.939 2.096 . . . . 0.0 110.049 -171.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -70.57 168.15 16.97 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.3 1.44 . . . . 0.0 111.973 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -106.96 160.94 15.16 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.523 0.729 . . . . 0.0 111.172 170.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -52.23 -48.59 65.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.176 0.99 . . . . 0.0 113.117 -170.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.51 -49.12 79.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.932 0.893 . . . . 0.0 112.298 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.02 -45.03 94.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.041 1.336 . . . . 0.0 110.876 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.79 -47.99 78.7 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.453 1.501 . . . . 0.0 111.71 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.32 -40.44 96.34 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.707 1.203 . . . . 0.0 112.264 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.17 -41.77 89.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.34 0.973 . . . . 0.0 112.01 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.24 -43.36 78.08 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.09 -39.0 88.29 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.566 -0.709 . . . . 0.0 112.73 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.76 -39.86 90.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.032 1.333 . . . . 0.0 111.72 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.2 mtm -71.22 -44.21 65.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.499 1.12 . . . . 0.0 112.111 172.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.81 -30.39 68.88 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.898 1.279 . . . . 0.0 113.397 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.83 -28.11 61.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.092 0.86 . . . . 0.0 113.058 171.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.41 -26.69 61.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.412 1.085 . . . . 0.0 113.257 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -90.54 -0.65 57.75 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.162 1.785 . . . . 0.0 112.762 168.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 74.92 52.76 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 128.059 2.544 . . . . 0.0 112.448 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 59.08 84.07 0.12 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.215 3.006 . . . . 0.0 114.311 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.435 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 88.7 p -123.89 18.47 9.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.088 2.555 . . . . 0.0 113.442 -174.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 t -40.43 -55.0 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.767 . . . . 0.0 115.749 -152.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.39 94.81 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-N 119.059 0.845 . . . . 0.0 113.467 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.8 m -69.02 -38.31 79.13 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.238 -1.154 . . . . 0.0 111.585 170.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.23 -44.83 88.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 111.292 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.71 -61.59 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.856 1.662 . . . . 0.0 109.194 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -54.24 -50.81 66.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.801 0.84 . . . . 0.0 112.158 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.98 -37.34 74.05 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.717 0.807 . . . . 0.0 112.865 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.91 -43.81 82.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.681 1.128 . . . . 0.0 112.061 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.481 HD13 HG12 ' B' ' 61' ' ' ILE . 6.1 mt -61.47 -40.81 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.876 1.67 . . . . 0.0 110.765 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -34.46 71.09 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.749 0.819 . . . . 0.0 111.062 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.97 -39.32 93.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.016 1.326 . . . . 0.0 111.91 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.86 84.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.401 0.68 . . . . 0.0 112.453 168.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.65 -34.11 75.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.97 1.308 . . . . 0.0 111.672 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -56.85 -21.52 29.78 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.985 1.714 . . . . 0.0 114.566 171.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -108.17 -29.45 8.92 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.229 1.812 . . . . 0.0 113.877 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.0 -43.72 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.663 1.185 . . . . 0.0 111.118 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.258 1.823 . . . . 0.0 113.112 176.393 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -83.98 167.37 16.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.901 1.68 . . . . 0.0 110.906 175.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.76 112.01 15.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.261 1.425 . . . . 0.0 111.027 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 90.15 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.329 1.852 . . . . 0.0 109.267 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -120.04 116.59 26.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.526 1.13 . . . . 0.0 112.438 -174.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -113.38 161.67 17.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.655 1.582 . . . . 0.0 111.178 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.0 80.22 1.42 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.87 1.668 . . . . 0.0 109.93 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' B' ' 61' ' ' ILE . 4.6 m-85 -75.16 177.36 6.52 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.205 1.802 . . . . 0.0 110.639 174.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -137.45 179.5 6.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.171 -0.956 . . . . 0.0 110.938 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -46.89 -53.3 12.47 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.536 1.534 . . . . 0.0 114.059 -167.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.18 -58.6 6.49 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.786 1.175 . . . . 0.0 113.084 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -56.27 -42.48 77.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.958 1.703 . . . . 0.0 111.722 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.65 -40.85 61.2 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.429 1.092 . . . . 0.0 112.732 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -35.92 74.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.989 0.916 . . . . 0.0 111.78 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -62.42 -40.46 96.64 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.984 0.914 . . . . 0.0 111.97 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.545 HD11 HG13 ' B' ' 61' ' ' ILE . 1.0 OUTLIER -60.02 -43.45 95.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 167.626 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.43 -38.04 85.72 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.994 0.816 . . . . 0.0 112.854 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -61.77 -41.87 98.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.44 1.496 . . . . 0.0 111.592 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.3 mtp -68.43 -48.2 65.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.934 2.094 . . . . 0.0 111.084 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.563 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -61.0 -30.55 70.35 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.431 1.893 . . . . 0.0 114.175 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -58.18 -29.99 66.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.774 1.17 . . . . 0.0 112.852 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -77.97 -14.02 59.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.462 1.105 . . . . 0.0 113.072 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -102.75 4.35 37.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.838 2.055 . . . . 0.0 111.601 166.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 63.64 58.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.59 2.356 . . . . 0.0 112.31 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 62.97 94.72 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.09 2.556 . . . . 0.0 114.331 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.563 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 5.6 t -138.95 39.04 2.15 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.386 2.674 . . . . 0.0 109.921 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.91 130.63 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.487 -1.383 . . . . 0.0 111.227 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.07 -43.62 3.26 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 125.461 1.505 . . . . 0.0 111.384 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -62.08 -34.75 76.87 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.237 -1.155 . . . . 0.0 111.401 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.05 -40.55 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.781 1.232 . . . . 0.0 112.419 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.545 HG13 HD11 ' B' ' 46' ' ' LEU . 0.1 OUTLIER -56.74 -49.49 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.556 1.542 . . . . 0.0 110.3 177.272 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -58.39 -57.75 11.53 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.147 0.979 . . . . 0.0 109.532 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.47 -43.16 7.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.864 2.065 . . . . 0.0 112.878 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -34.89 75.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.896 1.279 . . . . 0.0 113.954 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.05 -42.01 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 124.034 0.933 . . . . 0.0 110.101 168.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.73 -35.18 74.78 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.368 -0.833 . . . . 0.0 110.417 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.29 -47.53 85.61 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.335 2.254 . . . . 0.0 111.443 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.59 76.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.141 0.976 . . . . 0.0 113.212 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.55 -18.25 65.26 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.36 1.464 . . . . 0.0 113.707 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.65 -48.84 74.31 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.003 1.321 . . . . 0.0 112.127 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -144.09 81.79 1.69 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.281 2.232 . . . . 0.0 111.199 172.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 31.9 mt -55.0 -54.44 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.009 0.923 . . . . 0.0 111.239 172.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.984 1.714 . . . . 0.0 113.1 176.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.658 0 CA-C-O 122.273 1.035 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.68 139.52 50.11 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.203 1.001 . . . . 0.0 112.938 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.04 110.09 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.249 1.82 . . . . 0.0 109.752 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -114.84 123.62 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.861 1.664 . . . . 0.0 111.628 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -134.35 164.87 26.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.276 1.43 . . . . 0.0 113.079 -165.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -119.92 89.39 3.12 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.232 1.813 . . . . 0.0 110.613 -161.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.64 -177.72 4.01 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 128.923 2.889 . . . . 0.0 112.277 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -138.59 167.26 22.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.11 0.964 . . . . 0.0 112.712 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.89 -52.62 23.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.924 1.689 . . . . 0.0 113.686 -164.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -55.39 -53.21 59.11 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.802 1.241 . . . . 0.0 113.128 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.71 -37.51 79.08 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.138 0.975 . . . . 0.0 111.81 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -49.89 52.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.896 0.878 . . . . 0.0 112.591 173.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -33.56 75.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.844 1.258 . . . . 0.0 113.069 -175.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -62.62 -37.63 87.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.451 1.101 . . . . 0.0 112.145 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 HG12 ' A' ' 61' ' ' ILE . 1.2 mt -75.59 -34.58 60.64 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 172.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.0 -40.31 96.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.091 0.956 . . . . 0.0 113.089 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -64.51 -37.49 87.73 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.191 0.996 . . . . 0.0 111.958 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.9 mtm -67.87 -43.67 78.84 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.699 0.8 . . . . 0.0 111.714 170.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.99 -34.92 73.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -62.16 -23.64 66.71 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 173.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.92 -39.16 90.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 168.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.54 -4.93 51.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.634 1.974 . . . . 0.0 113.556 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 76.78 38.95 0.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.462 2.705 . . . . 0.0 113.109 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 78.91 111.09 0.07 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 129.829 3.252 . . . . 0.0 113.941 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.501 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 77.0 p -155.07 27.19 0.42 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.272 2.229 . . . . 0.0 111.242 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 t -54.87 131.12 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.785 1.234 . . . . 0.0 110.377 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -46.23 1.33 Allowed Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.669 1.128 . . . . 0.0 112.301 -171.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -78.68 -40.99 32.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.607 0.763 . . . . 0.0 112.207 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.08 -38.47 70.72 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 111.955 175.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 46' ' ' LEU . 5.0 mt -55.37 -56.56 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.645 1.578 . . . . 0.0 110.569 175.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -63.14 -44.89 94.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -55.61 -38.09 68.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.646 1.179 . . . . 0.0 112.335 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.18 -40.01 82.36 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 122.333 1.063 . . . . 0.0 112.917 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.1 mm -67.07 -40.34 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.161 1.385 . . . . 0.0 110.796 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -34.16 71.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.803 0.841 . . . . 0.0 111.065 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.44 -46.35 86.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.438 1.095 . . . . 0.0 111.415 170.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -31.54 72.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.925 0.89 . . . . 0.0 113.178 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.82 -22.84 66.58 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.549 1.54 . . . . 0.0 113.706 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.54 -25.04 67.83 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -157.78 50.1 0.42 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.287 1.035 . . . . 0.0 113.388 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.4 mt -48.24 -45.49 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.865 1.266 . . . . 0.0 113.579 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.855 1.662 . . . . 0.0 112.258 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.32 156.6 18.0 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.947 1.299 . . . . 0.0 112.55 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.92 111.37 15.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.527 1.131 . . . . 0.0 112.196 -157.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.63 92.74 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.221 1.808 . . . . 0.0 109.195 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -104.21 120.3 40.85 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.225 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mp -120.24 169.86 9.87 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.901 2.481 . . . . 0.0 110.675 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -140.67 77.34 1.6 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.643 1.977 . . . . 0.0 110.674 -173.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -74.47 178.45 5.27 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.21 1.404 . . . . 0.0 112.093 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -131.26 178.21 6.88 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.927 1.291 . . . . 0.0 110.733 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.09 -47.84 53.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.956 -169.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.19 -51.23 70.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.521 0.728 . . . . 0.0 112.468 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -59.05 -46.41 88.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.957 1.303 . . . . 0.0 111.344 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -69.57 -41.24 76.11 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.538 -0.726 . . . . 0.0 112.373 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.53 -34.76 70.32 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.507 -0.746 . . . . 0.0 112.67 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -65.9 -37.0 84.94 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.892 -1.13 . . . . 0.0 112.548 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.418 HD12 HG13 ' B' ' 61' ' ' ILE . 2.1 mm? -62.36 -44.33 96.73 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.595 -0.691 . . . . 0.0 112.639 165.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.59 -35.6 74.62 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.698 1.199 . . . . 0.0 113.516 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -63.74 -37.46 87.43 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.34 0.656 . . . . 0.0 112.514 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 72.8 mtm -74.76 -42.89 57.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.131 0.973 . . . . 0.0 112.153 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.13 84.28 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.675 0.79 . . . . 0.0 112.658 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.61 -29.05 69.8 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.846 -1.159 . . . . 0.0 113.586 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.29 -29.96 66.84 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.942 1.297 . . . . 0.0 112.763 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -82.21 -7.17 59.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.604 1.962 . . . . 0.0 113.013 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 85.05 38.52 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.341 3.056 . . . . 0.0 113.16 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 69.09 125.11 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.997 3.319 . . . . 0.0 114.053 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -171.06 17.52 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.87 . . . . 0.0 114.21 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.4 m -42.86 -48.65 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -161.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.38 -41.48 99.54 Favored Glycine 0 N--CA 1.476 1.313 0 CA-C-N 119.64 1.109 . . . . 0.0 113.104 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 72.6 m -70.27 -34.88 73.33 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.647 -0.914 . . . . 0.0 112.361 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -62.4 -40.91 98.03 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.404 1.002 . . . . 0.0 112.193 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.418 HG13 HD12 ' B' ' 46' ' ' LEU . 72.1 mt -59.19 -46.52 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.683 1.193 . . . . 0.0 109.776 176.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.27 -48.55 70.1 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.208 0.527 . . . . 0.0 112.398 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 49.1 ttt85 -51.6 -41.15 61.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.584 1.954 . . . . 0.0 112.627 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -38.95 69.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.987 0.915 . . . . 0.0 112.468 -177.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mm -61.56 -44.45 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.571 1.148 . . . . 0.0 110.535 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.69 -34.41 73.89 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.673 -0.642 . . . . 0.0 110.812 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -66.19 -40.97 90.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.439 1.096 . . . . 0.0 112.319 173.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.86 81.83 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.713 -0.617 . . . . 0.0 112.573 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -32.03 72.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.343 1.057 . . . . 0.0 112.287 -175.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -62.36 -21.72 65.54 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.911 1.284 . . . . 0.0 114.417 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.595 1.158 . . . . 0.0 112.448 171.669 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 121.19 0.519 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 135.26 46.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.684 1.594 . . . . 0.0 110.855 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.33 94.75 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 126.178 1.791 . . . . 0.0 108.148 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 t -113.24 112.84 24.42 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.962 1.705 . . . . 0.0 111.179 -170.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.51 170.61 15.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.408 1.083 . . . . 0.0 112.979 -162.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -125.59 86.5 2.55 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.267 1.827 . . . . 0.0 109.563 -167.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -81.7 168.11 18.44 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 110.76 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.0 m -107.07 165.21 11.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.615 0.766 . . . . 0.0 111.619 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -54.35 -45.78 72.8 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.76 -51.4 67.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.13 -42.95 91.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.486 1.114 . . . . 0.0 111.226 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -66.5 -45.09 80.75 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.519 0.728 . . . . 0.0 112.704 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.14 -41.4 88.22 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.124 0.969 . . . . 0.0 112.155 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.43 -42.82 92.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.728 1.211 . . . . 0.0 111.975 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.499 HD11 HG13 ' A' ' 61' ' ' ILE . 1.2 mm? -63.86 -45.04 91.25 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 172.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.35 -38.61 87.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.732 0.813 . . . . 0.0 112.902 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.03 -41.2 96.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.363 1.065 . . . . 0.0 111.086 176.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.05 -42.41 66.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 112.405 172.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.01 68.5 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.297 1.439 . . . . 0.0 112.998 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.444 1.02 . . . . 0.0 113.134 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -76.87 -16.67 59.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.906 1.283 . . . . 0.0 113.021 174.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -98.5 1.87 47.06 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.647 1.979 . . . . 0.0 111.932 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 70.32 59.67 0.24 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.658 2.383 . . . . 0.0 112.345 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.286 10.0 pt-20 48.12 83.74 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.383 3.073 . . . . 0.0 115.175 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -141.8 59.83 1.48 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.845 1.658 . . . . 0.0 108.63 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.34 138.66 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.171 -0.956 . . . . 0.0 110.922 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.73 -45.34 2.72 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.457 1.503 . . . . 0.0 111.505 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 m -62.09 -40.47 95.94 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.479 -1.012 . . . . 0.0 111.286 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -59.29 -43.47 92.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.89 0.876 . . . . 0.0 112.143 172.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.499 HG13 HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.6 -51.32 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 124.749 1.22 . . . . 0.0 109.57 172.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.33 -48.74 78.52 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.341 0.656 . . . . 0.0 109.964 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -56.76 -38.2 72.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.996 0.918 . . . . 0.0 113.321 174.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -40.91 91.32 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.773 1.17 . . . . 0.0 112.154 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.33 -43.47 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.692 1.597 . . . . 0.0 110.178 174.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.42 -34.82 72.94 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 111.26 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -59.11 -49.07 79.28 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.017 1.727 . . . . 0.0 110.734 169.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.654 1.182 . . . . 0.0 113.774 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -29.86 70.4 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.47 1.508 . . . . 0.0 112.886 -173.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -65.8 -23.53 66.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.344 1.857 . . . . 0.0 113.694 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -145.36 30.86 1.11 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.689 1.596 . . . . 0.0 114.834 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.8 mt -49.61 -41.59 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.055 0.942 . . . . 0.0 112.261 172.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.7 2.0 . . . . 0.0 112.794 177.241 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -85.72 168.03 14.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 111.716 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.91 118.83 22.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.285 1.834 . . . . 0.0 109.681 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 t -130.32 95.73 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.168 1.787 . . . . 0.0 108.845 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -108.11 116.61 32.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.502 1.521 . . . . 0.0 112.731 -177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.26 157.14 18.15 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.901 1.68 . . . . 0.0 110.344 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -129.71 88.52 2.69 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.329 1.452 . . . . 0.0 111.168 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.444 ' CZ ' HD11 ' B' ' 61' ' ' ILE . 75.5 m-85 -84.32 166.74 17.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.757 1.623 . . . . 0.0 112.467 174.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 72.1 p -132.74 87.4 2.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 122.146 0.974 . . . . 0.0 112.483 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 58.04 -77.67 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.379 2.672 . . . . 0.0 113.675 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -51.88 62.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.822 1.649 . . . . 0.0 112.612 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -57.68 -43.6 85.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.664 1.185 . . . . 0.0 112.201 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -65.71 -41.08 92.75 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.84 0.745 . . . . 0.0 112.573 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -37.42 85.69 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.683 0.793 . . . . 0.0 112.393 177.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -60.46 -43.91 96.42 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.126 0.875 . . . . 0.0 111.019 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 -43.45 91.21 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.58 -38.05 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -67.46 -37.66 83.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.658 1.183 . . . . 0.0 112.348 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 45.0 mtp -64.98 -52.21 57.49 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.164 1.786 . . . . 0.0 110.196 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.536 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -57.75 -35.8 71.22 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.96 1.704 . . . . 0.0 114.077 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.68 -26.12 66.87 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.033 0.833 . . . . 0.0 112.993 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -72.72 -27.6 62.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.095 0.958 . . . . 0.0 113.242 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.64 -0.91 57.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.753 1.221 . . . . 0.0 112.726 166.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.9 53.42 0.14 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 128.488 2.715 . . . . 0.0 112.41 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 73.15 102.14 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 129.024 2.93 . . . . 0.0 114.066 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.536 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 30.6 p -152.99 30.29 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.894 2.877 . . . . 0.0 110.893 -169.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.77 118.41 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 120.387 -1.445 . . . . 0.0 111.401 -167.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.81 -47.22 1.32 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.587 1.565 . . . . 0.0 111.498 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -59.16 -35.62 73.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.066 -1.255 . . . . 0.0 111.637 169.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.1 -37.19 86.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.856 0.862 . . . . 0.0 112.886 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.444 HD11 ' CZ ' ' B' ' 38' ' ' PHE . 0.1 OUTLIER -57.54 -49.68 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.124 0.97 . . . . 0.0 109.558 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -60.16 -50.35 74.03 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 123.299 0.64 . . . . 0.0 110.473 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -48.24 -47.65 35.72 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -43.47 77.05 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.129 1.372 . . . . 0.0 112.798 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 19.2 mm -66.0 -39.47 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 125.049 1.34 . . . . 0.0 110.193 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.62 -27.53 51.17 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.385 1.074 . . . . 0.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -63.02 -45.77 90.75 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.941 1.696 . . . . 0.0 111.523 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.12 85.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.672 0.789 . . . . 0.0 112.697 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -30.01 71.12 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.259 1.424 . . . . 0.0 113.068 -173.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.39 -24.8 65.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.774 1.23 . . . . 0.0 113.819 173.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 125.201 1.401 . . . . 0.0 113.539 170.007 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.495 0.188 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 137.69 58.26 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.554 1.142 . . . . 0.0 112.231 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' B' ' 38' ' ' PHE . 22.1 t -130.91 86.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.424 1.89 . . . . 0.0 108.991 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -106.25 106.29 16.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.475 1.11 . . . . 0.0 111.406 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -132.17 165.26 24.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.807 1.643 . . . . 0.0 112.75 -168.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -135.81 84.08 2.06 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.0 1.72 . . . . 0.0 109.716 -164.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -76.89 172.83 12.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.01 1.724 . . . . 0.0 110.944 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -108.3 160.79 15.58 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.625 0.77 . . . . 0.0 111.282 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.61 -50.54 62.86 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 123.262 0.625 . . . . 0.0 112.376 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.42 -49.29 77.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.021 0.828 . . . . 0.0 112.373 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -57.6 -47.03 83.29 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.65 1.18 . . . . 0.0 111.397 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -68.36 -48.53 64.56 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.659 0.783 . . . . 0.0 111.884 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -38.0 84.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.638 1.175 . . . . 0.0 112.129 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -44.35 85.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.102 0.864 . . . . 0.0 111.532 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.36 -37.75 74.65 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.74 -41.78 98.1 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.342 1.057 . . . . 0.0 112.428 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.16 -36.7 82.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.573 1.149 . . . . 0.0 112.207 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.5 mtm -72.47 -41.61 65.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.704 1.201 . . . . 0.0 112.128 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.38 66.74 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.683 1.193 . . . . 0.0 113.584 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -56.67 -26.52 56.55 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.591 1.087 . . . . 0.0 113.251 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.26 -31.04 67.04 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.006 0.922 . . . . 0.0 112.962 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.62 2.47 53.08 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.205 2.202 . . . . 0.0 112.863 169.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 72.87 46.72 0.24 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.048 2.539 . . . . 0.0 113.074 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 55.19 83.31 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.777 3.231 . . . . 0.0 115.041 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 t -136.91 62.97 1.58 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.24 1.816 . . . . 0.0 109.65 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.83 -41.87 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.884 1.273 . . . . 0.0 112.806 -165.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.96 99.71 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.3 0.952 . . . . 0.0 112.644 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -68.37 -40.24 81.52 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.597 -0.943 . . . . 0.0 111.327 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.511 0.724 . . . . 0.0 111.724 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -51.64 -60.69 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.817 1.247 . . . . 0.0 109.039 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -62.29 -45.03 95.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.52 0.2 . . . . 0.0 111.092 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -50.12 -43.29 51.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.732 2.013 . . . . 0.0 111.221 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -36.34 71.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.412 1.006 . . . . 0.0 113.413 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.98 -48.54 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.735 1.614 . . . . 0.0 109.6 169.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -37.67 81.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.955 1.302 . . . . 0.0 110.949 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.86 -47.2 86.12 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.674 1.99 . . . . 0.0 111.226 173.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.23 80.3 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 112.627 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -24.13 65.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.509 1.923 . . . . 0.0 113.673 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -57.72 -34.02 69.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.043 0.937 . . . . 0.0 113.196 173.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -153.74 56.47 0.74 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.158 1.383 . . . . 0.0 112.624 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.72 -55.19 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.434 1.494 . . . . 0.0 113.336 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.943 1.697 . . . . 0.0 113.096 -174.644 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.84 171.4 15.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.049 1.74 . . . . 0.0 111.393 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.89 119.08 21.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.57 1.548 . . . . 0.0 110.556 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.28 100.52 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 126.815 2.046 . . . . 0.0 107.884 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -121.85 98.89 6.16 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.839 1.655 . . . . 0.0 111.012 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -120.34 175.73 5.82 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.251 1.821 . . . . 0.0 113.538 -173.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.58 91.38 2.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.988 2.515 . . . . 0.0 109.17 -164.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.409 ' CD2' HG21 ' A' ' 34' ' ' VAL . 15.2 m-85 -78.79 170.19 17.06 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.664 0.786 . . . . 0.0 111.141 174.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -108.26 168.13 9.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.856 0.862 . . . . 0.0 111.819 162.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.57 -46.87 67.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.412 1.085 . . . . 0.0 112.68 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.82 -54.45 45.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.326 1.05 . . . . 0.0 112.041 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -53.51 -45.83 69.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.073 1.749 . . . . 0.0 111.705 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -70.08 -42.37 72.85 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.342 0.657 . . . . 0.0 112.116 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -64.46 -38.1 89.83 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.507 1.123 . . . . 0.0 112.489 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -50.46 73.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.641 1.176 . . . . 0.0 110.332 171.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.75 -29.2 66.51 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.37 -41.42 89.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.257 1.023 . . . . 0.0 112.841 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -63.34 -36.28 83.17 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.635 0.774 . . . . 0.0 111.956 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 77.9 mtp -67.72 -46.47 72.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.566 1.546 . . . . 0.0 111.567 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.24 -26.55 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.252 1.421 . . . . 0.0 113.943 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.98 -27.09 65.05 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.248 1.385 . . . . 0.0 113.086 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.35 -29.12 63.5 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.272 1.029 . . . . 0.0 112.562 172.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -89.21 7.33 35.89 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.725 2.01 . . . . 0.0 112.182 168.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.55 45.19 1.14 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.739 2.416 . . . . 0.0 113.787 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 57.51 80.7 0.16 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.83 3.252 . . . . 0.0 113.601 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -136.9 43.75 2.37 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.616 1.966 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -43.58 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.435 1.894 . . . . 0.0 114.725 -168.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.18 88.07 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 124.23 0.919 . . . . 0.0 112.438 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -68.0 -44.79 75.77 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 123.567 0.747 . . . . 0.0 111.399 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.34 89.02 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.371 0.987 . . . . 0.0 112.229 -178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 32.3 mt -57.17 -45.39 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.937 1.295 . . . . 0.0 110.191 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.48 -62.16 1.94 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.652 0.381 . . . . 0.0 110.204 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -53.92 -29.46 42.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.999 2.12 . . . . 0.0 114.145 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.72 -38.94 93.01 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.258 1.39 . . . . 0.0 112.654 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.5 mt -71.76 -41.72 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 126.49 1.916 . . . . 0.0 110.978 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 mt -64.84 -36.45 84.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.278 0.944 . . . . 0.0 110.933 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.95 -44.44 94.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.188 2.195 . . . . 0.0 111.709 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.28 92.74 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.767 0.827 . . . . 0.0 112.613 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -24.89 68.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.828 1.651 . . . . 0.0 113.303 -176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -53.62 -39.38 64.88 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.32 1.048 . . . . 0.0 112.266 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 126.127 1.771 . . . . 0.0 111.372 178.449 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 121.171 0.51 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 118.93 7.35 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.662 1.585 . . . . 0.0 112.079 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -130.96 94.9 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.076 1.75 . . . . 0.0 108.981 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -108.6 124.84 51.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.855 1.662 . . . . 0.0 112.707 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -124.19 171.54 9.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.775 2.03 . . . . 0.0 111.988 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -129.88 80.94 1.99 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.489 1.915 . . . . 0.0 109.212 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -75.03 161.87 29.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.17 1.788 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.51 161.07 15.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.718 -0.614 . . . . 0.0 110.943 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -54.56 -40.07 68.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.618 0.367 . . . . 0.0 111.822 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.75 -53.43 58.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.878 1.271 . . . . 0.0 112.103 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.2 -43.92 87.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.229 1.412 . . . . 0.0 111.487 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.5 -51.46 69.36 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.468 1.507 . . . . 0.0 111.338 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.77 -41.22 97.41 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.244 1.418 . . . . 0.0 112.76 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -60.14 -42.39 94.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.769 0.827 . . . . 0.0 111.129 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -67.35 -35.38 79.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 174.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.23 -42.08 96.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.503 -0.748 . . . . 0.0 112.611 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -65.2 -32.21 73.77 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.161 -0.962 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.0 mtm -70.62 -44.95 66.17 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.572 1.549 . . . . 0.0 112.483 167.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.532 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -57.05 -28.58 62.67 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.028 1.331 . . . . 0.0 113.8 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -57.7 -27.29 62.79 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.853 0.861 . . . . 0.0 113.097 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.64 -29.55 65.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.794 1.238 . . . . 0.0 112.997 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -93.55 3.6 55.28 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.027 1.731 . . . . 0.0 112.596 169.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 70.17 53.98 0.34 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.198 2.599 . . . . 0.0 112.526 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 62.23 95.45 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.102 2.961 . . . . 0.0 113.941 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.532 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 t -149.41 39.07 0.8 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.401 1.48 . . . . 0.0 110.574 -177.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -53.9 128.79 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.461 0.705 . . . . 0.0 109.92 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . 110.5 -54.01 0.56 Allowed Glycine 0 N--CA 1.473 1.113 0 C-N-CA 124.603 1.097 . . . . 0.0 111.394 -170.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -71.45 -38.98 71.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.454 0.702 . . . . 0.0 111.643 171.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.02 -39.14 88.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.41 0.684 . . . . 0.0 112.446 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.474 ' CG1' HD13 ' A' ' 46' ' ' LEU . 22.3 mt -54.15 -55.89 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.169 1.387 . . . . 0.0 109.615 171.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -55.3 -56.12 23.64 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 124.419 1.088 . . . . 0.0 110.071 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.91 -45.41 30.73 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.24 1.816 . . . . 0.0 111.865 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.79 -44.92 79.99 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.801 0.81 . . . . 0.0 112.639 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.2 -43.25 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.033 1.733 . . . . 0.0 110.351 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -32.91 68.71 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 110.593 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.42 -46.44 83.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.708 1.603 . . . . 0.0 111.901 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.14 93.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.681 0.793 . . . . 0.0 112.363 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.92 -14.59 63.08 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.25 1.82 . . . . 0.0 113.963 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.82 -37.4 71.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.464 1.106 . . . . 0.0 112.397 164.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -160.13 70.25 0.43 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.724 2.009 . . . . 0.0 112.783 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mm -54.86 -36.58 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.394 1.078 . . . . 0.0 112.202 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 128.599 2.759 . . . . 0.0 114.945 175.815 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -93.68 99.03 11.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.608 1.563 . . . . 0.0 112.33 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.36 122.48 14.66 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.979 1.712 . . . . 0.0 110.969 166.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.57 95.76 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 127.657 2.383 . . . . 0.0 109.059 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.8 t -115.8 136.91 52.6 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.882 1.273 . . . . 0.0 112.741 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.93 162.66 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 111.492 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -124.21 91.35 3.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.484 1.914 . . . . 0.0 109.777 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' B' ' 61' ' ' ILE . 78.0 m-85 -79.52 175.74 10.33 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.343 1.457 . . . . 0.0 112.498 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -110.61 171.75 7.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.357 1.063 . . . . 0.0 111.408 168.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -58.26 -35.99 72.59 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.68 -59.29 5.63 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.216 . . . . 0.0 112.238 174.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.04 -50.12 20.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.373 2.269 . . . . 0.0 112.069 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -65.6 -44.29 87.03 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.399 1.08 . . . . 0.0 112.528 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.63 -33.97 71.58 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.69 -0.631 . . . . 0.0 112.481 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.08 -43.92 97.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.138 0.881 . . . . 0.0 111.198 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.93 -43.74 94.75 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.38 -41.51 89.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -68.31 -32.0 71.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.292 1.037 . . . . 0.0 113.077 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 34.7 mtp -72.07 -46.26 57.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.065 1.746 . . . . 0.0 111.192 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.23 -20.06 63.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.873 1.669 . . . . 0.0 114.017 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.18 -28.18 51.08 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.82 1.191 . . . . 0.0 113.0 167.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.99 -31.69 68.3 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.082 0.953 . . . . 0.0 112.608 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -86.12 2.72 45.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.934 2.094 . . . . 0.0 112.941 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 70.08 43.96 0.83 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.732 2.413 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 54.4 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.459 3.504 . . . . 0.0 116.039 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.39 -46.58 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.133 1.373 . . . . 0.0 111.603 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 t 71.68 140.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 129.243 3.017 . . . . 0.0 113.137 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.51 -42.81 3.14 Favored Glycine 0 N--CA 1.471 0.992 0 C-N-CA 126.151 1.834 . . . . 0.0 111.501 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -59.13 -37.01 76.23 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.822 1.249 . . . . 0.0 112.015 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.86 -41.35 97.74 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.131 0.972 . . . . 0.0 112.223 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -56.65 -49.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.298 1.439 . . . . 0.0 109.709 175.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -60.63 -54.46 45.11 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 123.015 0.526 . . . . 0.0 109.944 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -53.18 -39.77 63.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.293 1.037 . . . . 0.0 112.648 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.61 -46.62 75.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.014 1.326 . . . . 0.0 112.757 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.8 mm -62.37 -44.68 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 125.768 1.627 . . . . 0.0 109.531 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mp -68.6 -36.74 79.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.434 1.094 . . . . 0.0 110.664 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.78 -45.56 92.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.654 1.582 . . . . 0.0 111.749 172.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.8 91.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.688 0.795 . . . . 0.0 112.538 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -29.52 67.51 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.288 1.835 . . . . 0.0 113.044 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -54.56 -35.02 62.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.979 1.711 . . . . 0.0 112.962 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.7 pttt . . . . . 0 N--CA 1.475 0.778 0 C-N-CA 126.221 1.808 . . . . 0.0 113.371 -175.215 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 . . . . . 0 CA--C 1.54 0.586 0 CA-C-O 121.409 0.624 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 128.68 37.76 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 111.121 166.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.8 t -145.97 118.59 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.618 1.567 . . . . 0.0 110.077 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 t -123.48 128.66 50.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.51 1.924 . . . . 0.0 112.611 -170.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -130.59 166.94 19.56 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.999 1.719 . . . . 0.0 112.867 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -118.48 84.35 2.17 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 127.026 2.13 . . . . 0.0 110.44 -170.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -77.59 -179.4 5.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.812 2.045 . . . . 0.0 112.235 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 t -134.9 166.12 23.73 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.834 0.854 . . . . 0.0 112.395 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.69 -51.52 37.74 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.873 1.669 . . . . 0.0 112.759 -164.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.07 -52.46 64.19 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.171 1.388 . . . . 0.0 113.231 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -61.22 -40.46 94.09 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.207 1.003 . . . . 0.0 111.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -69.3 -50.11 49.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.586 0.708 . . . . 0.0 112.315 177.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -37.8 87.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.243 -176.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -67.25 -38.94 86.0 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.243 -0.911 . . . . 0.0 112.207 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.18 -28.97 64.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.36 -44.57 82.84 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.386 1.075 . . . . 0.0 113.003 166.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -63.79 -34.68 78.44 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.434 -0.791 . . . . 0.0 112.41 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.1 mtp -68.26 -38.42 81.73 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.759 1.224 . . . . 0.0 112.16 171.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.53 -20.61 64.81 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -58.28 -22.72 53.74 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 119.912 1.233 . . . . 0.0 113.712 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -66.74 -32.82 74.36 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.374 1.47 . . . . 0.0 112.846 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -94.97 5.14 52.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.715 2.406 . . . . 0.0 113.17 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 65.82 47.12 2.14 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.123 2.169 . . . . 0.0 113.1 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 60.1 98.19 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.761 3.225 . . . . 0.0 114.383 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.503 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 73.2 m -138.76 38.48 2.19 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.581 2.352 . . . . 0.0 109.585 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.64 113.83 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.24 1.416 . . . . 0.0 109.732 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.97 -58.15 0.65 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 125.582 1.563 . . . . 0.0 111.035 -171.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m -65.06 -38.18 89.97 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.96 -0.73 . . . . 0.0 112.134 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -42.38 98.74 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.46 -0.775 . . . . 0.0 111.47 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.1 mt -57.36 -47.59 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.866 0.866 . . . . 0.0 110.504 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -59.98 -52.5 65.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.945 0.498 . . . . 0.0 110.976 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.28 -27.51 65.89 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.12 -33.03 74.86 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.53 -1.356 . . . . 0.0 113.118 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.3 mm -67.44 -41.77 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.145 1.378 . . . . 0.0 110.784 167.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.03 -34.6 73.46 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.502 -0.749 . . . . 0.0 111.164 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.11 -34.01 75.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.683 1.993 . . . . 0.0 112.547 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.63 -33.14 35.98 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 171.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -18.74 65.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.614 -168.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -55.1 -21.77 14.09 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -97.97 -2.61 40.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.807 1.243 . . . . 0.0 114.238 173.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -116.55 -23.13 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 126.882 2.073 . . . . 0.0 112.929 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.293 2.237 . . . . 0.0 113.021 170.179 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.47 171.26 8.67 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.876 1.271 . . . . 0.0 111.313 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.34 132.01 35.04 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.539 1.136 . . . . 0.0 111.789 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -136.48 95.04 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.548 1.939 . . . . 0.0 109.385 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.8 t -106.64 127.17 53.13 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.212 1.005 . . . . 0.0 111.236 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.56 165.79 24.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.933 1.693 . . . . 0.0 110.995 -169.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -131.5 75.36 1.65 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.303 1.441 . . . . 0.0 111.347 -174.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.78 176.54 0.52 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.841 1.256 . . . . 0.0 112.643 168.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.8 p -128.36 169.49 14.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.517 1.127 . . . . 0.0 111.533 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.76 -40.56 63.25 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -166.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.61 -55.83 26.42 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.066 1.346 . . . . 0.0 113.063 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -57.85 -40.28 79.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.712 1.205 . . . . 0.0 112.048 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -67.51 -44.08 79.31 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.411 1.085 . . . . 0.0 112.168 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -66.16 -40.77 90.79 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.954 0.902 . . . . 0.0 112.871 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -36.79 75.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.918 0.887 . . . . 0.0 112.207 173.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.533 HD13 ' CG1' ' B' ' 61' ' ' ILE . 0.4 OUTLIER -77.42 -39.32 47.33 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.9 -39.11 84.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.917 1.287 . . . . 0.0 112.825 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.89 -39.44 89.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.605 1.162 . . . . 0.0 111.705 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -39.72 83.43 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.438 1.095 . . . . 0.0 112.585 173.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.51 -21.55 64.32 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.99 -24.76 55.93 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 121.147 -0.971 . . . . 0.0 113.559 168.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.04 -15.76 61.07 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.446 1.898 . . . . 0.0 113.634 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.03 9.65 11.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.578 2.351 . . . . 0.0 111.677 174.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.19 62.93 0.68 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.392 2.277 . . . . 0.0 113.214 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.26 9.5 pt-20 47.64 81.66 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.309 2.644 . . . . 0.0 115.189 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -137.62 46.0 2.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.293 1.837 . . . . 0.0 109.908 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.71 112.28 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.548 1.139 . . . . 0.0 110.426 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.27 -54.85 0.74 Allowed Glycine 0 N--CA 1.477 1.379 0 C-N-CA 125.188 1.375 . . . . 0.0 111.755 -171.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.4 m -62.39 -37.75 86.96 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.053 -1.263 . . . . 0.0 111.205 167.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.53 -40.74 95.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.533 ' CG1' HD13 ' B' ' 46' ' ' LEU . 15.6 mt -56.16 -53.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.761 1.224 . . . . 0.0 109.734 174.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -61.9 -50.28 72.84 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.868 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -56.65 -37.66 71.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.53 0.732 . . . . 0.0 112.028 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -44.62 66.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.23 0.923 . . . . 0.0 112.689 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.29 -45.31 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.066 1.346 . . . . 0.0 109.309 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -33.2 65.86 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.348 1.059 . . . . 0.0 110.744 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.94 -40.27 87.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.096 0.958 . . . . 0.0 112.466 171.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.45 86.69 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.553 -0.717 . . . . 0.0 112.397 171.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -21.58 65.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.931 1.692 . . . . 0.0 114.013 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -60.13 -26.35 66.19 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 76.9 tttt . . . . . 0 CA--C 1.552 1.056 0 C-N-CA 124.41 1.084 . . . . 0.0 113.105 177.779 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 122.032 0.92 . . . . 0.0 111.744 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.84 106.83 8.7 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.548 1.939 . . . . 0.0 109.752 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.93 78.63 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.763 1.225 . . . . 0.0 109.545 -157.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -108.22 121.54 45.08 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.039 1.335 . . . . 0.0 112.339 -164.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.87 166.25 23.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.807 2.043 . . . . 0.0 112.152 -174.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -128.66 89.09 2.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.982 2.113 . . . . 0.0 110.137 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.32 174.73 10.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.257 1.423 . . . . 0.0 111.879 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -120.21 157.84 28.24 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.128 0.971 . . . . 0.0 110.878 172.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.94 -43.95 70.24 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 123.819 0.847 . . . . 0.0 113.074 -168.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.32 -53.76 54.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.146 0.885 . . . . 0.0 112.544 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -60.81 -39.33 88.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.973 0.909 . . . . 0.0 112.137 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -66.96 -53.34 32.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.452 0.701 . . . . 0.0 111.884 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -40.29 88.13 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 111.826 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -59.34 -39.91 84.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.113 0.87 . . . . 0.0 112.479 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.7 mt -74.63 -30.32 61.6 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.346 0.975 . . . . 0.0 113.489 175.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.1 -44.64 91.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.428 -0.795 . . . . 0.0 112.266 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -62.97 -35.63 80.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.367 1.467 . . . . 0.0 112.002 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mmm -66.91 -49.38 65.75 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.845 2.058 . . . . 0.0 111.621 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.39 66.26 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -57.48 -24.83 58.06 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.572 1.078 . . . . 0.0 112.912 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.81 -35.59 74.95 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.16 0.984 . . . . 0.0 112.935 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 1.48 33.13 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.321 1.848 . . . . 0.0 112.706 168.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 76.48 40.54 0.22 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.48 2.712 . . . . 0.0 113.085 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.66 100.14 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 129.493 3.117 . . . . 0.0 113.951 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.2 p -147.37 37.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.008 2.123 . . . . 0.0 112.168 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -48.57 -47.26 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 125.106 1.362 . . . . 0.0 114.529 -160.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.2 -41.22 99.42 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.624 0.63 . . . . 0.0 113.098 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 m -69.44 -39.29 77.91 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.539 -0.977 . . . . 0.0 111.324 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.88 -42.64 89.98 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.761 0.824 . . . . 0.0 111.515 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.4 -59.35 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.437 1.095 . . . . 0.0 109.167 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.92 -42.75 99.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -55.2 -42.32 73.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.773 2.029 . . . . 0.0 112.275 174.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -40.35 82.53 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.363 0.983 . . . . 0.0 111.815 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.637 HD11 HD11 ' B' ' 65' ' ' ILE . 64.7 mt -62.6 -44.8 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.847 1.659 . . . . 0.0 110.15 173.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.58 -37.34 79.77 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.905 0.882 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.05 -41.87 99.58 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.525 1.53 . . . . 0.0 112.133 173.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.43 92.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.798 0.839 . . . . 0.0 111.612 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.0 -32.82 73.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.662 1.185 . . . . 0.0 112.25 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -18.29 8.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.102 2.161 . . . . 0.0 115.024 169.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -115.07 -31.53 6.01 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.013 2.125 . . . . 0.0 113.354 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.4 -47.36 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.054 1.742 . . . . 0.0 111.103 172.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.683 1.593 . . . . 0.0 113.567 178.338 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.84 167.77 19.54 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.044 1.338 . . . . 0.0 112.781 169.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.13 113.33 12.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.844 2.058 . . . . 0.0 109.22 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.61 93.24 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.815 1.646 . . . . 0.0 109.081 -163.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -122.62 107.85 12.43 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.375 1.47 . . . . 0.0 111.547 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.59 177.7 4.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.495 1.918 . . . . 0.0 111.955 -174.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -138.68 84.41 2.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.528 1.931 . . . . 0.0 109.454 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.77 178.91 1.55 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.808 1.243 . . . . 0.0 111.076 170.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.445 ' H ' ' HG3' ' B' ' 42' ' ' GLN . 11.1 t -128.12 170.57 12.8 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.597 1.159 . . . . 0.0 109.906 164.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.31 -51.52 53.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 0.0 113.016 -160.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.85 -66.77 0.37 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.919 1.287 . . . . 0.0 112.408 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' B' ' 39' ' ' SER . 4.5 pt20 -59.1 -24.45 62.96 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.252 1.421 . . . . 0.0 114.578 -175.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.77 -55.89 6.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.297 1.039 . . . . 0.0 111.557 168.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -28.41 70.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.025 0.93 . . . . 0.0 112.86 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -31.73 73.02 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.953 1.701 . . . . 0.0 111.094 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.36 -38.45 22.0 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 166.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -57.93 -37.8 74.76 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.215 -0.928 . . . . 0.0 113.335 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -33.98 76.65 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.617 1.167 . . . . 0.0 112.354 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 70.5 mtm -74.71 -42.81 57.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.483 1.113 . . . . 0.0 111.739 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.13 67.49 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.29 -26.9 66.86 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.143 -0.973 . . . . 0.0 113.299 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.69 -32.02 67.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.288 1.035 . . . . 0.0 112.759 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -80.34 -1.6 41.8 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.006 1.722 . . . . 0.0 112.659 168.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 79.46 42.41 0.07 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 128.926 2.89 . . . . 0.0 112.43 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 63.22 101.97 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 129.246 3.018 . . . . 0.0 114.178 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.9 p -149.88 26.76 0.81 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.465 1.906 . . . . 0.0 112.66 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . 0.29 3.6 p -56.31 -32.92 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 120.597 1.544 . . . . 0.0 114.778 -162.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.41 -41.4 63.13 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.617 1.103 . . . . 0.0 114.008 171.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -81.82 -35.43 29.45 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.617 1.567 . . . . 0.0 112.802 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -57.62 -41.54 81.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.288 1.035 . . . . 0.0 111.584 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.1 mt -51.62 -58.19 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.329 1.852 . . . . 0.0 108.894 174.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -52.55 65.16 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.42 0.688 . . . . 0.0 111.534 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -54.68 -37.21 65.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 0.0 111.765 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.19 -43.39 61.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 113.381 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.637 HD11 HD11 ' A' ' 65' ' ' ILE . 68.8 mt -61.25 -45.56 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.004 1.722 . . . . 0.0 109.602 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -37.16 75.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.532 1.133 . . . . 0.0 110.171 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.93 -43.45 94.94 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.655 1.182 . . . . 0.0 112.049 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.75 89.19 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.502 0.721 . . . . 0.0 112.466 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -25.8 67.68 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.448 1.899 . . . . 0.0 113.796 -177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.08 -25.13 63.51 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.182 0.993 . . . . 0.0 113.498 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 126.194 1.798 . . . . 0.0 113.536 -172.733 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 . . . . . 0 CA--C 1.544 0.735 0 CA-C-O 121.714 0.769 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.82 126.89 29.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.578 1.151 . . . . 0.0 111.397 169.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.7 t -144.65 118.7 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.12 1.768 . . . . 0.0 109.147 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -124.97 136.83 54.1 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 126.105 1.762 . . . . 0.0 112.593 -165.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -136.66 163.41 30.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.019 1.727 . . . . 0.0 112.096 -168.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -122.22 89.86 3.19 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.727 1.611 . . . . 0.0 111.022 -174.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -83.68 176.3 9.08 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.136 2.175 . . . . 0.0 112.596 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.0 p -128.57 168.7 15.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.511 1.524 . . . . 0.0 112.043 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.26 -53.04 18.55 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.972 0.909 . . . . 0.0 113.391 -173.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.99 -49.97 74.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.745 0.818 . . . . 0.0 112.599 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.98 -38.32 88.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 0.0 112.297 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -70.71 -51.09 29.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.53 1.132 . . . . 0.0 111.86 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -37.24 86.94 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.36 1.064 . . . . 0.0 113.193 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -64.65 -29.07 70.06 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.129 -0.982 . . . . 0.0 112.926 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 61' ' ' ILE . 1.3 mt -78.73 -37.1 42.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.75 -43.2 99.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.941 0.896 . . . . 0.0 113.258 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.3 -28.23 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.538 -0.726 . . . . 0.0 112.765 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.6 mtm -69.19 -43.23 74.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.118 0.967 . . . . 0.0 111.283 167.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -60.83 -28.39 68.78 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.37 -24.55 60.24 Favored 'General case' 0 CA--C 1.555 1.144 0 O-C-N 121.027 -1.046 . . . . 0.0 113.715 170.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -32.96 72.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.994 1.317 . . . . 0.0 113.259 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.02 -1.03 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.752 2.021 . . . . 0.0 113.306 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 75.03 43.23 0.22 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.917 2.487 . . . . 0.0 112.909 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 69.56 111.92 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 130.058 3.343 . . . . 0.0 114.27 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.52 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 83.8 p -151.99 25.28 0.64 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.961 2.104 . . . . 0.0 111.327 -173.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.9 116.97 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.807 1.243 . . . . 0.0 110.476 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.82 -51.66 0.73 Allowed Glycine 0 N--CA 1.476 1.31 0 C-N-CA 125.357 1.456 . . . . 0.0 111.916 -169.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -72.22 -41.19 67.15 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.813 -0.816 . . . . 0.0 112.139 170.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.93 -39.63 78.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.858 -0.526 . . . . 0.0 111.784 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 46' ' ' LEU . 6.1 mt -53.81 -52.07 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.483 1.513 . . . . 0.0 110.555 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -47.96 78.54 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.623 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.08 -37.9 62.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.232 1.013 . . . . 0.0 113.4 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -37.7 77.34 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.479 1.111 . . . . 0.0 112.453 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.405 HG12 HD11 ' B' ' 65' ' ' ILE . 11.5 mm -68.05 -43.28 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.785 1.234 . . . . 0.0 111.055 170.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -37.14 81.8 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.358 -0.839 . . . . 0.0 110.187 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.14 -39.32 92.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.328 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.34 83.84 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 72' ' ' ILE . 28.2 mt -67.79 -25.63 65.69 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.112 1.365 . . . . 0.0 113.071 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -64.79 -21.61 66.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 169.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -152.88 48.03 0.72 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.469 1.108 . . . . 0.0 113.456 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.636 HD11 HD23 ' A' ' 69' ' ' LEU . 44.7 mt -48.55 -37.75 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.185 1.394 . . . . 0.0 113.47 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 126.824 2.05 . . . . 0.0 110.818 177.786 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -87.79 165.55 15.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.124 0.97 . . . . 0.0 111.596 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.29 129.3 44.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.305 1.442 . . . . 0.0 110.318 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -133.93 91.98 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.073 1.749 . . . . 0.0 109.315 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -98.51 133.79 42.38 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.01 0.924 . . . . 0.0 111.497 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.07 162.52 28.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.677 1.991 . . . . 0.0 110.434 -173.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -133.63 77.56 1.73 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.95 1.7 . . . . 0.0 109.812 -169.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.87 -175.55 3.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.736 1.614 . . . . 0.0 112.449 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -127.97 169.29 14.16 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.194 0.998 . . . . 0.0 111.876 163.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -50.18 -41.92 50.19 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 112.838 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.87 -53.91 53.06 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.626 1.17 . . . . 0.0 113.289 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.48 -42.16 98.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.074 0.549 . . . . 0.0 111.535 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.72 -44.55 66.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.997 0.519 . . . . 0.0 112.337 -178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -35.63 77.21 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.4 -0.813 . . . . 0.0 112.387 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -66.23 -38.24 87.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 174.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.465 HD13 HG12 ' B' ' 61' ' ' ILE . 0.4 OUTLIER -68.86 -38.29 79.64 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.75 -39.63 92.29 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.682 1.193 . . . . 0.0 113.026 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.58 -34.28 77.88 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.597 0.759 . . . . 0.0 111.758 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.81 72.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.045 0.938 . . . . 0.0 112.477 168.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -60.85 -29.13 69.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.63 -20.83 35.81 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.43 1.092 . . . . 0.0 113.823 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.64 -38.57 89.74 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.103 1.361 . . . . 0.0 113.007 170.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -80.52 -15.0 57.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.677 1.591 . . . . 0.0 113.278 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 93.88 36.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 129.55 3.14 . . . . 0.0 112.154 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 77.05 112.44 0.07 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 130.567 3.547 . . . . 0.0 113.512 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.511 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 81.8 p -153.47 25.37 0.52 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.747 2.019 . . . . 0.0 111.262 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -53.04 120.48 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.163 -0.961 . . . . 0.0 111.416 -175.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.21 -54.56 0.63 Allowed Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.19 1.376 . . . . 0.0 111.239 -168.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.2 m -74.61 -40.56 61.47 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.538 -0.978 . . . . 0.0 111.746 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.81 -35.17 75.81 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.465 HG12 HD13 ' B' ' 46' ' ' LEU . 33.7 mt -55.43 -55.18 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.058 1.343 . . . . 0.0 109.611 171.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -61.99 -47.14 86.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.21 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -50.27 -43.19 53.26 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.256 0.935 . . . . 0.0 111.652 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.46 -38.52 65.43 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.405 HD11 HG12 ' A' ' 65' ' ' ILE . 25.4 mm -62.12 -48.91 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.249 1.42 . . . . 0.0 109.852 169.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.69 74.91 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.604 1.162 . . . . 0.0 110.408 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -64.89 -45.99 83.61 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.567 1.147 . . . . 0.0 111.563 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.86 69.05 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.2 -23.62 66.47 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.803 1.641 . . . . 0.0 113.815 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.68 -21.52 65.8 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 124.545 1.138 . . . . 0.0 113.772 -164.18 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.307 0.575 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.32 141.54 50.78 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -139.88 97.06 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.391 2.276 . . . . 0.0 108.748 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t -118.78 117.18 28.21 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.905 1.282 . . . . 0.0 110.819 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.77 165.26 26.34 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.016 1.327 . . . . 0.0 112.461 -167.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -124.39 86.52 2.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.545 1.538 . . . . 0.0 110.967 -168.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -72.66 169.94 15.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.639 1.576 . . . . 0.0 111.445 172.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -116.65 160.33 20.87 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.953 0.901 . . . . 0.0 111.141 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -44.14 -54.43 5.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.121 1.369 . . . . 0.0 113.685 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.94 -48.22 82.61 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.487 1.115 . . . . 0.0 113.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -61.96 -42.81 99.54 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.091 0.956 . . . . 0.0 111.233 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.83 -43.1 76.22 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.03 0.919 . . . . 0.0 112.736 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -34.79 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 112.26 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -64.19 -39.44 93.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.481 1.037 . . . . 0.0 113.038 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.23 -41.12 97.14 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.625 1.102 . . . . 0.0 112.435 170.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.16 -37.51 85.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.645 1.178 . . . . 0.0 112.734 173.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -37.08 85.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.342 0.657 . . . . 0.0 112.221 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 50.7 mtm -72.57 -43.78 62.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.791 0.836 . . . . 0.0 111.794 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.29 96.31 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.944 0.898 . . . . 0.0 112.949 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -62.67 -28.52 69.98 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.075 -1.016 . . . . 0.0 113.468 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.65 -19.39 63.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.645 1.578 . . . . 0.0 113.371 173.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -110.25 0.65 18.2 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.755 2.022 . . . . 0.0 112.76 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 84.46 47.23 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 128.854 2.862 . . . . 0.0 113.756 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 76.93 120.28 0.05 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 130.037 3.335 . . . . 0.0 114.031 176.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 t -163.72 16.33 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.973 1.709 . . . . 0.0 111.019 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -60.46 131.44 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 120.31 -1.494 . . . . 0.0 111.093 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.51 -57.86 0.74 Allowed Glycine 0 N--CA 1.469 0.867 0 C-N-CA 125.443 1.497 . . . . 0.0 109.946 -168.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.292 -1.122 . . . . 0.0 111.981 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.77 -37.56 79.41 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.912 0.885 . . . . 0.0 112.663 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.32 -55.53 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.783 0.833 . . . . 0.0 109.445 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.46 -47.07 87.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.67 -41.56 70.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.61 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.78 -41.1 79.26 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.366 1.079 . . . . 0.0 112.321 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.53 -41.74 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.285 1.434 . . . . 0.0 110.282 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.86 -36.17 75.31 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.45 0.7 . . . . 0.0 110.669 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.88 -41.69 99.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.208 1.003 . . . . 0.0 111.934 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.45 85.45 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.94 0.896 . . . . 0.0 113.118 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.94 -26.02 68.4 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 113.25 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -58.62 -30.1 66.99 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.415 1.086 . . . . 0.0 113.629 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -160.01 50.78 0.31 Allowed 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -48.86 -39.67 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.822 1.249 . . . . 0.0 113.541 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.249 1.075 0 C-N-CA 126.564 1.946 . . . . 0.0 110.9 -177.83 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -105.34 172.29 6.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.658 1.183 . . . . 0.0 111.112 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.97 132.61 36.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.106 . . . . 0.0 111.673 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.44 99.27 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.92 2.088 . . . . 0.0 108.168 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -117.53 122.2 43.05 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.014 1.325 . . . . 0.0 111.594 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.2 mt -142.76 171.41 14.1 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.346 1.859 . . . . 0.0 112.065 -164.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -136.49 95.39 3.15 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.394 1.878 . . . . 0.0 108.913 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -77.82 177.28 8.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.251 1.421 . . . . 0.0 110.738 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -125.25 162.39 24.82 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.325 0.65 . . . . 0.0 111.249 164.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.67 -31.28 69.4 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -162.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.94 -49.91 72.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.506 1.122 . . . . 0.0 112.873 171.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.03 -42.56 85.57 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.028 1.731 . . . . 0.0 111.46 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -70.44 -43.35 70.05 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.565 0.746 . . . . 0.0 112.649 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.08 -39.6 93.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.619 1.168 . . . . 0.0 113.103 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -65.27 -34.22 77.83 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.491 -0.755 . . . . 0.0 111.605 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.544 HD13 HG12 ' B' ' 61' ' ' ILE . 0.8 OUTLIER -75.17 -33.44 61.46 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 173.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.32 -41.02 90.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.859 1.264 . . . . 0.0 113.026 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.98 -27.52 63.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.219 0.608 . . . . 0.0 112.455 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 13.4 mtm -70.06 -46.26 65.34 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.987 0.915 . . . . 0.0 112.405 163.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.88 -28.43 67.54 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -56.24 -27.14 53.95 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 169.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.17 -29.79 65.63 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.935 1.294 . . . . 0.0 113.375 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -89.67 -0.41 57.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.075 2.15 . . . . 0.0 112.9 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 72.33 47.29 0.28 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 127.734 2.414 . . . . 0.0 112.732 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 64.36 113.4 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 129.855 3.262 . . . . 0.0 114.645 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.511 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 41.8 m -154.34 28.21 0.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.011 2.125 . . . . 0.0 110.759 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -55.98 132.84 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 120.501 -1.375 . . . . 0.0 111.751 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.86 -46.22 1.63 Allowed Glycine 0 N--CA 1.475 1.261 0 C-N-CA 125.332 1.444 . . . . 0.0 112.023 -173.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -70.39 -39.83 74.3 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.366 -1.079 . . . . 0.0 111.068 166.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.53 -38.04 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.271 -0.893 . . . . 0.0 112.783 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.544 HG12 HD13 ' B' ' 46' ' ' LEU . 41.8 mt -56.1 -51.77 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.456 1.103 . . . . 0.0 110.395 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -61.91 -50.99 69.96 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.846 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -54.69 -38.67 67.28 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.754 1.221 . . . . 0.0 112.596 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.36 -44.85 90.12 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.561 1.172 . . . . 0.0 112.241 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.47 -44.09 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 125.798 1.639 . . . . 0.0 110.473 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -29.8 65.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.64 0.776 . . . . 0.0 111.044 -176.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.41 -45.36 66.08 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.958 1.303 . . . . 0.0 111.965 169.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.22 72.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.634 0.774 . . . . 0.0 112.795 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.28 -19.51 65.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.492 1.517 . . . . 0.0 113.985 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.61 -34.24 77.8 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.061 0.944 . . . . 0.0 112.449 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt . . . . . 0 CA--C 1.553 1.092 0 C-N-CA 126.951 2.1 . . . . 0.0 111.974 176.587 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 122.403 1.097 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.09 119.66 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.438 2.295 . . . . 0.0 110.844 166.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 98.89 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.47 1.908 . . . . 0.0 109.394 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -108.57 123.12 48.43 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.42 1.888 . . . . 0.0 112.527 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.36 168.09 12.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.405 1.882 . . . . 0.0 112.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.67 77.48 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.947 2.099 . . . . 0.0 110.098 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.11 168.38 12.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.187 1.795 . . . . 0.0 111.44 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -117.77 167.98 10.88 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.288 1.035 . . . . 0.0 111.297 171.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.94 -41.75 75.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -165.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.96 -52.99 61.8 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.958 1.253 . . . . 0.0 112.824 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -53.76 -47.63 70.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.39 1.476 . . . . 0.0 110.808 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -60.75 -49.04 79.09 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.307 . . . . 0.0 111.816 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.71 -43.43 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.04 1.336 . . . . 0.0 112.407 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -44.19 91.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.303 1.041 . . . . 0.0 111.404 173.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.05 -43.52 95.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.863 0.756 . . . . 0.0 112.568 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.71 -38.4 90.32 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.531 -0.731 . . . . 0.0 112.73 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -68.57 -33.49 74.16 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.193 1.397 . . . . 0.0 112.247 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.6 mtm -67.02 -50.37 62.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.916 0.887 . . . . 0.0 110.73 167.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.18 69.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.871 1.269 . . . . 0.0 113.991 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -56.23 -28.38 58.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.195 1.398 . . . . 0.0 112.709 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -70.03 -31.74 69.53 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.412 1.085 . . . . 0.0 112.588 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.43 0.59 57.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.917 2.087 . . . . 0.0 112.909 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 77.83 50.79 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.407 2.683 . . . . 0.0 112.685 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 55.42 82.39 0.1 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 129.471 3.108 . . . . 0.0 114.547 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 76.0 p -118.19 25.09 10.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 128.224 2.609 . . . . 0.0 112.234 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -44.84 -51.85 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 126.165 1.786 . . . . 0.0 114.689 -155.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -59.02 -37.73 91.98 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.0 1.286 . . . . 0.0 113.756 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.3 m -75.69 -37.08 59.83 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.239 1.416 . . . . 0.0 111.995 171.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -60.48 -41.99 95.34 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.205 0.911 . . . . 0.0 111.789 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.494 HD13 HG13 ' B' ' 34' ' ' VAL . 39.4 mt -51.61 -57.58 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.402 1.481 . . . . 0.0 109.979 171.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.98 -44.72 96.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.999 0.919 . . . . 0.0 111.463 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -55.73 -39.5 71.19 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.46 1.904 . . . . 0.0 111.951 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.69 -40.87 79.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.414 1.006 . . . . 0.0 112.828 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.07 -42.45 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.201 1.4 . . . . 0.0 110.215 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.39 -36.03 73.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.793 0.837 . . . . 0.0 111.051 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.51 -43.93 93.25 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.511 1.524 . . . . 0.0 111.292 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.73 88.38 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.6 -28.13 69.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.576 1.551 . . . . 0.0 112.869 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -54.77 -36.06 64.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.945 1.298 . . . . 0.0 112.779 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -155.94 75.45 0.9 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.492 1.517 . . . . 0.0 112.64 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.54 -36.73 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.433 1.093 . . . . 0.0 113.458 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.858 1.663 . . . . 0.0 111.796 -179.153 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 121.398 0.618 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.49 170.09 9.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.401 2.281 . . . . 0.0 111.04 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.16 115.86 21.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.212 1.405 . . . . 0.0 110.529 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.494 HG13 HD13 ' A' ' 61' ' ' ILE . 92.9 t -127.83 89.74 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.597 1.559 . . . . 0.0 109.638 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -117.89 128.86 55.23 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.099 0.96 . . . . 0.0 113.489 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.45 172.19 13.36 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.402 1.481 . . . . 0.0 113.064 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -130.36 83.48 2.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.372 1.869 . . . . 0.0 110.019 -161.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.8 -177.81 5.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.612 1.965 . . . . 0.0 111.833 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -129.11 173.71 10.22 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.604 1.161 . . . . 0.0 111.139 164.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.08 -35.63 67.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.722 1.209 . . . . 0.0 113.45 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.31 -50.67 69.14 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.895 -1.128 . . . . 0.0 112.564 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.81 -47.32 86.86 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.041 1.736 . . . . 0.0 111.235 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.81 -38.2 82.98 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.753 -0.592 . . . . 0.0 112.406 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -65.07 -39.36 93.11 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -43.59 95.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.228 0.611 . . . . 0.0 112.003 172.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.1 -47.39 86.51 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.461 0.704 . . . . 0.0 112.578 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.83 -40.18 83.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.798 0.839 . . . . 0.0 112.811 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -62.77 -36.14 82.1 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.151 0.98 . . . . 0.0 112.187 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 47.8 mtm -74.96 -42.06 58.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.593 1.557 . . . . 0.0 112.522 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.56 60.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.932 1.693 . . . . 0.0 114.359 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.39 -23.05 56.02 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.824 1.193 . . . . 0.0 113.038 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -70.76 -35.3 72.56 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.054 -1.029 . . . . 0.0 112.867 170.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -75.83 -1.7 26.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.777 1.631 . . . . 0.0 113.065 166.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 69.34 40.39 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.341 2.256 . . . . 0.0 111.941 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 65.1 115.95 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 130.606 3.562 . . . . 0.0 114.965 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 39.7 t -144.38 -55.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.158 1.383 . . . . 0.0 110.239 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 t 68.46 141.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 129.432 3.093 . . . . 0.0 112.786 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.06 -39.75 2.07 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.636 1.589 . . . . 0.0 112.216 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.9 t -59.78 -40.76 89.34 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.499 -1.001 . . . . 0.0 111.321 171.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.41 -39.83 76.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.468 1.107 . . . . 0.0 112.508 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -52.88 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.306 1.443 . . . . 0.0 109.47 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -62.07 -50.32 72.45 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.285 0.634 . . . . 0.0 110.215 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -51.9 -42.85 63.04 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.903 1.681 . . . . 0.0 111.925 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.88 -44.89 75.97 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.204 1.002 . . . . 0.0 112.776 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.3 -39.24 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 126.106 1.762 . . . . 0.0 110.133 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.49 -32.97 64.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.309 1.043 . . . . 0.0 110.757 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -64.26 -48.19 76.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.116 1.366 . . . . 0.0 111.675 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.15 70.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.685 1.194 . . . . 0.0 112.846 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -27.62 68.82 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.31 -20.23 27.19 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.018 1.727 . . . . 0.0 114.037 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 tttt . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 126.29 1.836 . . . . 0.0 113.775 177.06 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 132.56 53.51 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.726 1.21 . . . . 0.0 111.557 170.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -142.88 103.95 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.511 1.925 . . . . 0.0 109.402 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -102.89 127.33 50.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.121 1.369 . . . . 0.0 112.062 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.9 164.49 22.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.029 2.132 . . . . 0.0 111.396 -168.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.83 81.86 1.99 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.28 1.432 . . . . 0.0 110.297 -166.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -82.52 172.95 12.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.457 1.903 . . . . 0.0 112.319 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -85.59 145.9 27.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 121.987 -0.446 . . . . 0.0 109.824 162.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.36 -29.41 63.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.893 0.477 . . . . 0.0 111.708 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.54 -56.43 16.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.708 -1.245 . . . . 0.0 111.906 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -60.54 -38.36 84.23 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.897 1.279 . . . . 0.0 111.858 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -57.85 -54.26 48.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.762 1.225 . . . . 0.0 111.753 173.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.959 0.903 . . . . 0.0 112.943 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -60.81 -42.18 97.16 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.524 -0.735 . . . . 0.0 111.473 171.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.482 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -67.11 -31.04 71.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 170.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.35 -40.02 93.07 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.734 -1.229 . . . . 0.0 112.467 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -64.53 -35.48 81.09 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.813 0.845 . . . . 0.0 112.541 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.9 mtp -65.72 -48.94 70.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.25 1.42 . . . . 0.0 110.747 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.552 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.85 -32.09 73.24 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.886 1.274 . . . . 0.0 114.002 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -26.47 66.35 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.634 1.106 . . . . 0.0 112.169 174.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -71.98 -25.57 61.91 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.536 1.134 . . . . 0.0 112.68 173.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -97.16 2.67 51.35 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.731 2.012 . . . . 0.0 112.081 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.5 52.5 0.17 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.331 2.652 . . . . 0.0 112.96 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 59.85 102.06 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.668 3.187 . . . . 0.0 115.262 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.552 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 79.9 p -145.9 27.1 1.21 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.623 2.369 . . . . 0.0 111.397 -173.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.38 115.01 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.788 1.235 . . . . 0.0 110.234 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.64 -51.32 0.71 Allowed Glycine 0 N--CA 1.473 1.105 0 C-N-CA 125.138 1.351 . . . . 0.0 112.274 -170.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.22 -39.05 92.26 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.088 -1.242 . . . . 0.0 111.205 166.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.25 -39.25 94.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.839 0.855 . . . . 0.0 112.424 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG1' HD13 ' A' ' 46' ' ' LEU . 45.0 mt -55.18 -58.07 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.583 1.153 . . . . 0.0 109.346 170.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -56.94 -50.94 71.07 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.891 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -44.9 -45.88 10.59 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.501 1.92 . . . . 0.0 111.67 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -40.65 74.6 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 HG12 ' B' ' 65' ' ' ILE . 24.3 mm -62.92 -44.92 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.352 1.461 . . . . 0.0 110.031 170.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -35.02 75.94 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 110.55 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.14 -50.57 67.67 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.01 1.724 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.67 -25.0 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.57 -24.82 67.72 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.182 1.793 . . . . 0.0 113.244 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -54.56 -44.46 72.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.848 1.259 . . . . 0.0 111.993 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 80.64 1.75 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.001 2.121 . . . . 0.0 110.929 168.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.5 mt -51.07 -50.95 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.122 0.969 . . . . 0.0 111.796 167.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.462 1.905 . . . . 0.0 114.973 -178.737 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.673 0.273 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -73.5 159.69 32.81 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.103 1.361 . . . . 0.0 110.965 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.85 108.31 12.85 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.165 1.786 . . . . 0.0 110.123 -175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 44.0 t -132.06 92.02 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.021 1.328 . . . . 0.0 109.826 -167.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -114.88 122.3 45.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.818 1.247 . . . . 0.0 112.23 -170.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -111.6 163.82 13.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.373 1.869 . . . . 0.0 110.614 -174.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -133.23 81.73 1.95 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.558 1.543 . . . . 0.0 109.58 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -69.68 167.46 16.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.902 0.881 . . . . 0.0 111.561 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -117.09 92.64 3.91 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.583 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 35.11 -67.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 1 C-N-CA 132.268 4.227 . . . . 0.0 116.691 169.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.95 -50.76 60.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.974 1.31 . . . . 0.0 111.972 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -54.49 -47.12 73.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.437 1.495 . . . . 0.0 111.773 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.93 -46.27 82.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.564 0.746 . . . . 0.0 111.738 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.45 -34.47 78.36 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 125.269 1.428 . . . . 0.0 113.346 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -38.31 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.866 1.267 . . . . 0.0 111.215 171.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.97 -31.14 58.87 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.71 -40.57 97.57 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.818 -1.176 . . . . 0.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -62.41 -34.04 75.95 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.405 1.482 . . . . 0.0 112.062 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mtm -71.44 -44.46 64.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.61 1.164 . . . . 0.0 112.607 167.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.41 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -57.12 -28.97 63.15 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.187 0.903 . . . . 0.0 113.254 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -56.97 -23.79 48.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.152 1.381 . . . . 0.0 113.635 171.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.24 -42.61 93.18 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.791 1.236 . . . . 0.0 112.397 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.72 -3.69 54.34 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.555 1.542 . . . . 0.0 113.276 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 92.6 37.63 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.834 3.254 . . . . 0.0 112.331 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 67.72 90.39 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.589 3.156 . . . . 0.0 112.922 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.41 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 65.6 p -142.61 44.69 1.61 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.213 2.205 . . . . 0.0 109.857 -174.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.08 142.67 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.902 0.858 . . . . 0.0 111.553 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -53.46 0.82 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.784 1.659 . . . . 0.0 110.463 -164.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -68.94 -48.73 62.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.575 -0.956 . . . . 0.0 112.461 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.76 -44.28 93.93 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.493 0.588 . . . . 0.0 111.205 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.56 -51.39 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 128.004 2.522 . . . . 0.0 110.452 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -62.47 -57.21 12.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.903 0.481 . . . . 0.0 110.934 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -49.41 -39.26 31.98 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.271 1.428 . . . . 0.0 112.912 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.16 -37.93 75.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.532 1.06 . . . . 0.0 113.238 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.424 HG12 HD11 ' A' ' 65' ' ' ILE . 10.3 mm -64.1 -48.84 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.678 1.191 . . . . 0.0 109.548 168.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.48 -30.52 68.43 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.296 0.498 . . . . 0.0 111.637 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -46.25 90.61 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 126.784 2.034 . . . . 0.0 111.558 168.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.47 82.75 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -17.86 64.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.782 2.033 . . . . 0.0 113.401 -174.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.6 -33.71 73.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.686 1.195 . . . . 0.0 113.564 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -160.415 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 121.151 0.501 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 125.74 24.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.289 1.036 . . . . 0.0 111.303 168.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.3 t -148.99 116.36 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.058 1.743 . . . . 0.0 109.941 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -132.87 143.3 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 125.475 1.51 . . . . 0.0 114.024 -170.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.41 -179.25 6.63 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 127.527 2.331 . . . . 0.0 112.786 -173.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.61 95.1 3.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.608 1.963 . . . . 0.0 109.597 -163.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.37 -166.56 0.19 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.553 1.941 . . . . 0.0 113.1 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m -139.54 160.76 39.11 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 120.996 -1.065 . . . . 0.0 110.852 155.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.44 -50.94 38.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.522 1.129 . . . . 0.0 113.376 -164.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.78 -48.75 80.43 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.038 0.935 . . . . 0.0 112.568 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.53 -39.6 94.83 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.681 1.193 . . . . 0.0 111.985 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.93 -49.21 60.02 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.354 0.662 . . . . 0.0 112.257 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -35.27 76.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.8 1.24 . . . . 0.0 112.365 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -61.63 -41.1 97.0 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.0 0.818 . . . . 0.0 111.332 171.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.13 -33.76 65.72 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.91 -41.5 95.53 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.699 1.2 . . . . 0.0 113.596 173.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -32.37 73.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.058 0.543 . . . . 0.0 112.391 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.9 mtm -76.22 -34.34 59.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.496 1.118 . . . . 0.0 113.477 170.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.42 68.27 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.22 -23.52 56.06 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -71.66 -31.5 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.386 1.474 . . . . 0.0 113.395 171.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -86.43 -4.81 59.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.416 1.887 . . . . 0.0 113.266 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 80.17 41.79 0.06 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.593 2.757 . . . . 0.0 113.423 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.35 100.35 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 129.038 2.935 . . . . 0.0 113.559 -176.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m -152.79 36.24 0.49 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.401 1.881 . . . . 0.0 112.474 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -46.53 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -166.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.84 98.92 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-N 119.284 0.947 . . . . 0.0 112.31 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 m -68.85 -37.83 79.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.074 0.95 . . . . 0.0 111.907 175.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -45.32 93.02 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.696 0.798 . . . . 0.0 111.175 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.6 mt -56.32 -53.38 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.183 172.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -45.74 92.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 -175.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -57.73 -38.93 76.17 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 127.238 2.215 . . . . 0.0 113.038 175.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.5 -32.14 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.076 0.941 . . . . 0.0 112.734 -173.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.5 -45.33 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.584 1.153 . . . . 0.0 109.825 167.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.48 -37.67 71.29 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.245 -0.91 . . . . 0.0 110.812 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.56 -39.68 88.86 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.844 1.257 . . . . 0.0 111.696 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -38.19 57.14 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 72' ' ' ILE . 14.8 mt -64.65 -27.16 68.74 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.001 1.72 . . . . 0.0 113.562 -175.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.44 -22.33 54.07 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -155.86 52.37 0.57 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.076 1.35 . . . . 0.0 113.114 -172.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 69' ' ' LEU . 3.0 mt -47.5 -41.07 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 124.557 1.143 . . . . 0.0 113.289 175.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.152 0 C-N-CA 126.762 2.025 . . . . 0.0 111.732 175.246 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -79.21 116.87 19.74 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.365 1.866 . . . . 0.0 111.815 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 137.89 58.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.639 1.176 . . . . 0.0 111.147 166.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.9 t -138.97 116.31 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 127.879 2.472 . . . . 0.0 107.732 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -135.18 126.7 28.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.777 1.631 . . . . 0.0 110.921 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -136.64 169.77 17.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.03 1.732 . . . . 0.0 111.151 -164.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -132.27 83.54 2.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.127 1.371 . . . . 0.0 111.446 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -71.62 178.91 3.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.626 1.571 . . . . 0.0 112.455 170.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.4 m -137.23 164.81 27.64 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.702 1.201 . . . . 0.0 110.612 164.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -38.78 20.88 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.06 -51.31 67.19 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.164 1.347 . . . . 0.0 112.343 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.5 -38.24 89.16 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.464 1.506 . . . . 0.0 111.771 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -64.9 -46.34 82.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.094 0.958 . . . . 0.0 111.421 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.19 -39.36 75.27 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.373 1.069 . . . . 0.0 113.381 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.416 ' HB3' HD22 ' A' ' 69' ' ' LEU . 25.1 mmtt -56.39 -39.25 72.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.643 0.777 . . . . 0.0 112.311 170.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.16 -41.1 62.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 172.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.73 -38.72 86.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.457 1.103 . . . . 0.0 113.22 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -68.86 -30.36 68.87 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.7 mtm -72.19 -44.0 63.67 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.467 1.107 . . . . 0.0 112.317 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.429 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.48 -28.48 65.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.787 1.235 . . . . 0.0 113.677 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.04 -25.73 61.57 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.76 -25.23 63.72 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.724 1.21 . . . . 0.0 113.725 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -101.89 2.12 37.72 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.011 2.524 . . . . 0.0 112.746 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 74.53 46.87 0.14 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.529 2.731 . . . . 0.0 113.828 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 64.73 99.48 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.739 2.816 . . . . 0.0 114.091 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.429 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 69.6 p -150.03 22.57 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.179 1.791 . . . . 0.0 113.089 -170.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.1 m -44.5 -44.98 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -164.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.13 -39.39 89.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.265 0.936 . . . . 0.0 113.778 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -81.58 -36.72 28.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.991 1.316 . . . . 0.0 112.529 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.23 -37.93 78.73 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.635 0.774 . . . . 0.0 112.437 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.3 mt -52.45 -53.4 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.263 1.425 . . . . 0.0 110.0 173.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -61.89 -49.18 77.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.981 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -39.12 62.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.919 1.288 . . . . 0.0 111.871 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.3 -40.42 67.54 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.177 -0.952 . . . . 0.0 112.755 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.45 -42.11 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.815 1.246 . . . . 0.0 110.872 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -37.16 76.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.727 0.811 . . . . 0.0 109.941 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.68 -40.36 95.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.22 1.008 . . . . 0.0 112.565 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.63 97.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 111.797 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.31 -26.92 68.27 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.854 -1.154 . . . . 0.0 113.319 -174.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -63.28 -14.07 45.5 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 mttp . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 125.408 1.483 . . . . 0.0 114.112 176.097 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 122.116 0.96 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.13 144.7 39.45 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.99 0.916 . . . . 0.0 113.359 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.6 t -138.67 92.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.236 2.215 . . . . 0.0 108.094 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t -118.65 115.83 25.33 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.236 1.014 . . . . 0.0 111.715 -171.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.3 168.79 14.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.471 1.508 . . . . 0.0 113.157 -172.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -130.76 65.17 1.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.487 1.915 . . . . 0.0 110.88 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 11.2 m-85 -65.9 164.94 13.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.24 1.816 . . . . 0.0 112.726 -178.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -87.93 160.79 17.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.58 -0.7 . . . . 0.0 111.402 165.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -51.06 -39.86 56.95 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.044 0.537 . . . . 0.0 112.01 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.91 -54.74 33.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.019 1.328 . . . . 0.0 112.677 176.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.72 -33.09 75.14 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.413 0.685 . . . . 0.0 112.593 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -66.76 -50.03 64.01 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.9 1.28 . . . . 0.0 112.165 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -58.71 -35.09 72.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.186 0.994 . . . . 0.0 112.724 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.72 -24.3 66.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.1 1.36 . . . . 0.0 114.123 170.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -81.79 -47.79 12.42 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.081 1.31 . . . . 0.0 112.914 159.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.53 -38.97 64.28 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.619 1.1 . . . . 0.0 113.745 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -69.98 -30.4 67.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.034 0.934 . . . . 0.0 113.096 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 51.6 mtm -80.08 -40.53 27.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.162 0.985 . . . . 0.0 112.169 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.505 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.22 -34.1 71.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.554 1.542 . . . . 0.0 113.068 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.94 -27.55 68.91 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.904 -1.122 . . . . 0.0 113.969 172.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.04 -26.27 61.24 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.881 1.272 . . . . 0.0 112.995 170.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.86 0.48 54.84 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.887 2.075 . . . . 0.0 112.545 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 69.28 44.96 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.666 2.386 . . . . 0.0 112.965 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 69.2 110.66 0.05 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.756 3.222 . . . . 0.0 113.899 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.505 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 6.8 t -153.31 29.1 0.49 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.514 1.926 . . . . 0.0 110.765 -174.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.36 132.32 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.02 -1.675 . . . . 0.0 112.461 -174.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.74 -45.06 3.43 Favored Glycine 0 N--CA 1.472 1.062 0 C-N-CA 126.129 1.823 . . . . 0.0 112.044 -174.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 m -64.74 -31.58 72.87 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.167 -1.196 . . . . 0.0 112.095 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.23 -40.25 81.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.587 1.155 . . . . 0.0 112.375 167.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.415 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -62.31 -50.36 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.556 1.142 . . . . 0.0 110.721 176.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -60.47 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -61.92 -30.69 71.06 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.861 -1.15 . . . . 0.0 113.373 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -43.92 80.52 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.163 1.347 . . . . 0.0 111.8 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.3 mm -63.15 -43.0 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.595 1.158 . . . . 0.0 110.23 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.63 -32.47 67.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.418 0.687 . . . . 0.0 110.994 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -65.04 -45.71 84.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.77 1.228 . . . . 0.0 111.607 171.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.02 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.501 0.72 . . . . 0.0 112.895 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.97 69.21 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.055 1.342 . . . . 0.0 113.077 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -63.4 -21.74 66.46 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -158.59 50.47 0.39 Allowed 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.5 mm -48.36 -36.18 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.83 -1.169 . . . . 0.0 113.857 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 126.57 1.948 . . . . 0.0 110.705 176.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -82.79 175.01 10.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.431 1.092 . . . . 0.0 111.414 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 124.84 31.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.397 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.71 89.45 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.081 1.752 . . . . 0.0 108.541 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -112.07 119.72 39.41 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.712 1.205 . . . . 0.0 112.369 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.13 172.47 9.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.837 2.455 . . . . 0.0 111.053 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -136.4 82.86 1.97 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.057 1.743 . . . . 0.0 110.571 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -72.75 177.47 4.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.975 . . . . 0.0 110.741 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.1 m -126.01 173.23 9.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.658 0.783 . . . . 0.0 110.961 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -53.7 -38.11 63.94 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -165.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.4 -53.19 56.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.112 0.965 . . . . 0.0 112.899 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -57.72 -45.72 85.37 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.073 1.349 . . . . 0.0 111.229 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.57 -38.15 74.07 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.579 -0.7 . . . . 0.0 112.529 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -67.28 -41.13 85.96 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.808 0.843 . . . . 0.0 112.263 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -58.29 -43.69 88.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.779 0.718 . . . . 0.0 111.563 172.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.426 HD12 HG13 ' B' ' 61' ' ' ILE . 2.0 mm? -66.95 -37.74 84.83 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.99 -39.74 95.66 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.967 0.907 . . . . 0.0 113.249 171.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.05 -36.01 82.98 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.019 0.928 . . . . 0.0 111.977 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 48.6 mtp -73.06 -41.0 64.61 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.639 1.576 . . . . 0.0 112.143 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . . . -65.99 -15.42 63.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.046 1.738 . . . . 0.0 115.015 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.49 -21.88 18.51 Favored 'General case' 0 CA--C 1.556 1.196 0 O-C-N 121.107 -0.996 . . . . 0.0 113.385 166.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.21 -39.74 94.62 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.179 0.992 . . . . 0.0 113.081 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.8 3.49 54.26 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 128.154 2.581 . . . . 0.0 113.203 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 73.48 39.12 0.6 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.716 2.406 . . . . 0.0 113.22 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 62.11 131.09 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.163 3.385 . . . . 0.0 115.705 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.3 p -167.27 -32.32 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.373 1.869 . . . . 0.0 112.593 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t 55.9 -67.46 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 130.768 3.627 . . . . 0.0 115.678 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.09 97.2 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.989 1.268 . . . . 0.0 112.148 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -66.45 -36.78 83.63 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.689 -0.889 . . . . 0.0 111.71 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' B' ' 50' ' ' ALA . 4.6 t80 -65.67 -41.1 92.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.431 -0.793 . . . . 0.0 112.305 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.426 HG13 HD12 ' B' ' 46' ' ' LEU . 73.4 mt -55.26 -49.47 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.864 0.866 . . . . 0.0 109.016 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.07 -49.85 72.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.077 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -60.1 -35.91 76.27 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.272 -0.892 . . . . 0.0 112.62 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -68.35 -43.38 77.6 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.621 1.201 . . . . 0.0 112.587 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.84 -42.3 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 125.176 1.39 . . . . 0.0 110.524 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -70.81 -32.26 69.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.352 0.661 . . . . 0.0 110.887 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.9 -45.39 82.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.06 0.944 . . . . 0.0 112.045 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.44 77.83 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.523 0.729 . . . . 0.0 112.677 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -19.86 66.07 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.274 1.829 . . . . 0.0 114.009 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.88 -26.47 68.17 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 170.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? . . . . . 0 CA--C 1.555 1.147 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -170.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 121.953 0.882 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.17 129.8 41.04 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.938 1.695 . . . . 0.0 111.936 174.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.1 t -144.53 104.87 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.746 . . . . 0.0 110.651 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -109.89 129.92 55.59 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.893 1.277 . . . . 0.0 113.781 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.08 171.1 11.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.235 2.214 . . . . 0.0 112.554 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.38 78.21 1.79 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.333 1.853 . . . . 0.0 110.488 -166.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.36 169.3 17.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.822 2.049 . . . . 0.0 111.886 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.7 p -90.42 165.54 13.77 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.425 -0.797 . . . . 0.0 111.959 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.69 -44.53 73.47 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.996 0.518 . . . . 0.0 111.308 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -51.86 65.53 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.203 1.001 . . . . 0.0 111.473 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -58.28 -40.12 81.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.237 1.415 . . . . 0.0 112.258 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -66.67 -53.05 38.02 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.277 1.831 . . . . 0.0 111.582 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.96 -36.86 78.02 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.139 1.376 . . . . 0.0 112.892 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -39.24 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.911 0.885 . . . . 0.0 111.771 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.05 -38.65 61.31 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 172.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.66 -42.33 92.58 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.237 -0.914 . . . . 0.0 112.567 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.02 -35.83 82.0 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.97 1.308 . . . . 0.0 112.349 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.6 mtm -68.13 -45.28 74.05 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.825 1.25 . . . . 0.0 111.643 170.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -61.19 -26.44 67.72 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.736 1.215 . . . . 0.0 113.952 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.16 -26.68 66.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.683 1.129 . . . . 0.0 113.383 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -72.08 -30.57 65.24 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.114 -0.991 . . . . 0.0 112.68 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.49 -0.27 36.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.354 1.862 . . . . 0.0 113.066 166.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 68.68 44.45 1.17 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.395 2.278 . . . . 0.0 112.364 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 71.3 109.04 0.06 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 130.224 3.41 . . . . 0.0 114.129 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.486 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 3.7 t -155.11 23.53 0.43 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.53 1.532 . . . . 0.0 112.138 -169.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.35 128.76 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 120.276 -1.515 . . . . 0.0 110.413 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.75 -39.72 2.7 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.661 1.124 . . . . 0.0 113.334 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.7 m -75.76 -43.09 48.32 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.65 -0.912 . . . . 0.0 110.967 165.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.66 -43.8 69.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.187 1.395 . . . . 0.0 111.957 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' HD13 ' A' ' 46' ' ' LEU . 28.5 mt -47.87 -59.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.798 1.639 . . . . 0.0 110.175 171.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -60.04 -50.71 72.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.181 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -48.67 -46.23 40.0 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.192 0.905 . . . . 0.0 111.671 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.64 -41.17 79.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 112.496 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.428 HD11 HG13 ' B' ' 65' ' ' ILE . 17.2 mm -69.18 -38.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.678 1.591 . . . . 0.0 111.359 176.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -35.34 71.9 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.361 1.065 . . . . 0.0 110.361 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.93 -41.58 91.19 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.521 1.528 . . . . 0.0 112.348 171.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.08 94.44 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 112.429 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -25.4 68.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.144 1.377 . . . . 0.0 112.991 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.42 -33.94 68.42 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.963 1.305 . . . . 0.0 112.972 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -156.59 67.09 0.56 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.409 1.884 . . . . 0.0 113.078 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.7 mm -52.76 -40.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.584 1.154 . . . . 0.0 112.759 170.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.078 1.751 . . . . 0.0 113.96 179.034 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.91 0.386 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -83.26 171.51 13.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.583 1.553 . . . . 0.0 111.339 175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.74 17.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.839 1.656 . . . . 0.0 109.92 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 70.6 t -127.23 90.17 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 126.221 1.808 . . . . 0.0 108.622 -173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -109.8 120.84 43.72 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.089 1.356 . . . . 0.0 111.407 -170.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.9 159.25 24.13 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.324 1.85 . . . . 0.0 110.29 -168.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -137.43 87.99 2.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.186 1.394 . . . . 0.0 109.89 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -79.54 171.61 14.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.537 1.535 . . . . 0.0 112.176 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -122.88 172.16 8.68 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.135 1.374 . . . . 0.0 111.061 164.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -48.72 -52.9 21.16 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.225 1.41 . . . . 0.0 113.717 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.79 -54.79 40.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.213 1.005 . . . . 0.0 112.802 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.9 -44.1 82.02 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.215 1.406 . . . . 0.0 112.057 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.82 -43.3 72.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.051 0.541 . . . . 0.0 111.929 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.033 1.333 . . . . 0.0 111.749 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -61.54 -46.94 87.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.119 0.872 . . . . 0.0 111.126 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.424 HD13 HG12 ' B' ' 61' ' ' ILE . 1.8 mt -70.81 -24.82 62.63 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -43.33 73.44 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.044 1.338 . . . . 0.0 113.273 168.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.51 -34.97 76.41 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.647 -0.658 . . . . 0.0 112.214 174.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 67.8 mtp -70.7 -43.87 68.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.804 1.642 . . . . 0.0 112.213 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -26.59 66.74 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.452 1.101 . . . . 0.0 113.783 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.06 -25.39 61.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.915 0.886 . . . . 0.0 113.054 171.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.06 -27.34 63.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.078 0.951 . . . . 0.0 113.303 174.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -95.82 1.53 53.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.514 1.926 . . . . 0.0 112.624 169.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 76.85 50.49 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.664 2.785 . . . . 0.0 112.706 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 57.97 82.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.465 2.706 . . . . 0.0 114.099 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -138.38 62.1 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.566 1.946 . . . . 0.0 109.341 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -48.11 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.344 1.458 . . . . 0.0 113.938 -167.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.42 98.67 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 123.933 0.778 . . . . 0.0 111.766 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.77 -42.23 91.07 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.782 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.59 -41.25 93.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.659 1.118 . . . . 0.0 111.689 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.424 HG12 HD13 ' B' ' 46' ' ' LEU . 33.6 mt -54.87 -49.0 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.206 1.802 . . . . 0.0 109.329 173.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -57.94 -62.12 2.04 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 123.277 0.361 . . . . 0.0 110.704 172.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.81 -33.91 37.78 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.753 2.421 . . . . 0.0 112.605 -173.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.0 -41.63 81.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.428 HG13 HD11 ' A' ' 65' ' ' ILE . 69.1 mt -58.98 -41.98 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.15 1.38 . . . . 0.0 108.946 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -71.0 -37.46 72.67 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.602 -0.686 . . . . 0.0 111.249 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.04 -41.62 98.31 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.591 1.956 . . . . 0.0 111.862 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.23 81.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.037 0.935 . . . . 0.0 111.298 172.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.91 -33.16 71.5 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.073 1.349 . . . . 0.0 112.053 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -18.96 25.17 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.897 2.479 . . . . 0.0 115.507 170.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 tttp . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 127.118 2.167 . . . . 0.0 112.859 177.009 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 122.908 1.337 . . . . 0.0 109.885 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 123.56 19.88 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.742 2.817 . . . . 0.0 112.164 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.82 99.87 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 126.831 2.052 . . . . 0.0 109.201 -173.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 t -108.83 114.2 27.78 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.138 1.375 . . . . 0.0 111.404 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.8 172.06 7.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.489 1.516 . . . . 0.0 112.538 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.79 75.27 1.59 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.692 2.397 . . . . 0.0 108.836 -170.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -73.56 177.35 5.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.933 1.693 . . . . 0.0 109.953 172.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.2 t -131.56 170.4 14.78 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.043 0.937 . . . . 0.0 111.584 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.45 -53.61 22.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.608 1.563 . . . . 0.0 113.458 -167.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.27 -49.23 76.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.204 0.911 . . . . 0.0 112.26 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -58.12 -45.83 86.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.248 1.419 . . . . 0.0 111.443 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.71 -44.36 74.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.332 1.453 . . . . 0.0 112.903 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -36.86 85.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 111.091 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -56.72 -50.11 73.15 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.42 0.688 . . . . 0.0 111.591 167.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD11 HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -60.06 -42.46 94.55 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.021 0.928 . . . . 0.0 113.077 176.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.62 -38.36 90.83 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 173.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.19 94.67 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.504 -0.747 . . . . 0.0 111.466 175.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 49.4 mtp -68.26 -41.17 81.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.532 1.933 . . . . 0.0 111.92 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -55.87 -33.35 64.49 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.02 1.728 . . . . 0.0 113.859 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.75 -22.97 67.1 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -13.73 60.68 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.263 1.425 . . . . 0.0 113.094 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.67 4.83 13.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.244 1.818 . . . . 0.0 111.859 171.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 66.74 62.36 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.508 2.723 . . . . 0.0 113.062 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 68.1 98.25 0.06 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.447 2.699 . . . . 0.0 114.773 171.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.504 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 18.2 p -154.36 30.15 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.878 2.071 . . . . 0.0 111.927 -170.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.64 124.85 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 120.624 -1.298 . . . . 0.0 111.818 -169.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.37 -45.52 2.22 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.603 1.573 . . . . 0.0 111.998 -175.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.0 m -63.51 -34.72 78.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.345 -1.091 . . . . 0.0 111.36 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.31 -40.52 90.87 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.268 1.027 . . . . 0.0 112.16 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.52 HG13 HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.47 -55.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.986 1.314 . . . . 0.0 107.822 171.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.13 -53.96 52.45 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -174.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.0 tpt85 -50.03 -39.48 41.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.824 2.45 . . . . 0.0 112.712 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -37.8 82.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.347 1.059 . . . . 0.0 113.065 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.421 HG13 HD11 ' B' ' 65' ' ' ILE . 75.0 mt -63.62 -41.22 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.486 1.515 . . . . 0.0 109.015 172.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.07 -38.61 75.8 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.306 0.642 . . . . 0.0 110.633 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -61.76 -48.29 81.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 125.979 1.712 . . . . 0.0 111.164 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.85 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.301 1.041 . . . . 0.0 113.224 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -26.13 68.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.804 1.642 . . . . 0.0 113.178 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -56.51 -41.61 76.98 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.678 1.191 . . . . 0.0 112.526 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -141.57 79.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.92 2.088 . . . . 0.0 111.286 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.4 mt -51.42 -40.66 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.173 0.989 . . . . 0.0 112.533 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 128.175 2.59 . . . . 0.0 114.799 177.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 121.025 0.44 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -94.57 99.23 11.41 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.526 1.531 . . . . 0.0 112.336 -175.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 124.45 20.77 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.502 1.521 . . . . 0.0 111.014 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 58.6 t -127.99 95.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.947 2.099 . . . . 0.0 109.126 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 t -115.34 123.6 49.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.068 1.347 . . . . 0.0 113.142 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.7 mt -142.5 165.34 27.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.705 1.602 . . . . 0.0 112.022 -162.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -129.18 97.41 4.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.861 2.065 . . . . 0.0 109.284 -173.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -72.26 -179.55 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.216 1.406 . . . . 0.0 112.121 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m -116.72 166.74 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.701 0.8 . . . . 0.0 111.374 162.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.47 -49.92 66.4 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.143 0.977 . . . . 0.0 112.871 -165.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.56 -52.29 66.29 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.799 1.24 . . . . 0.0 112.232 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.14 -43.27 82.28 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.405 1.482 . . . . 0.0 111.661 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -67.44 -43.05 82.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.017 0.527 . . . . 0.0 112.117 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.44 -33.98 76.27 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.787 1.235 . . . . 0.0 113.163 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.634 1.174 . . . . 0.0 110.528 171.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -39.26 92.69 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 172.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.21 -40.99 97.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.409 -0.807 . . . . 0.0 113.018 171.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.634 1.174 . . . . 0.0 111.954 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 23.6 mtm -67.77 -48.94 64.97 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.409 1.484 . . . . 0.0 111.765 169.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.6 -28.64 68.67 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.62 1.168 . . . . 0.0 113.542 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -27.14 66.08 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.531 1.06 . . . . 0.0 112.262 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -70.2 -32.36 70.23 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.488 1.115 . . . . 0.0 112.002 172.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -85.66 0.48 52.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.984 1.714 . . . . 0.0 112.485 170.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 74.15 48.4 0.13 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.671 2.788 . . . . 0.0 112.73 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 58.39 84.46 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.729 2.812 . . . . 0.0 114.104 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -141.32 43.49 1.77 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.474 2.31 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -46.59 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -168.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.0 98.13 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.858 0.742 . . . . 0.0 112.688 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 66.9 m -68.95 -38.9 79.72 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.642 -0.916 . . . . 0.0 111.626 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.84 -42.4 97.7 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.08 0.552 . . . . 0.0 111.68 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 mt -52.52 -52.94 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.534 1.534 . . . . 0.0 109.914 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -54.47 43.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.396 0.678 . . . . 0.0 110.886 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.33 -38.5 66.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.102 1.761 . . . . 0.0 113.069 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.0 -42.31 85.21 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.702 1.201 . . . . 0.0 111.973 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.421 HD11 HG13 ' A' ' 65' ' ' ILE . 23.3 mm -64.37 -47.55 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.266 1.826 . . . . 0.0 110.48 172.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -32.08 69.37 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.315 0.646 . . . . 0.0 110.563 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.5 -45.4 90.9 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.405 1.482 . . . . 0.0 111.905 169.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.89 82.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 172.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.51 -35.54 81.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.447 1.099 . . . . 0.0 111.687 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -59.47 -21.12 59.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.485 1.514 . . . . 0.0 114.466 170.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 tttp . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 126.567 1.947 . . . . 0.0 112.894 177.246 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 121.422 0.63 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.11 123.53 15.58 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.398 1.079 . . . . 0.0 110.196 159.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -142.81 106.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.376 1.871 . . . . 0.0 109.092 -165.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -116.1 139.48 50.26 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.918 1.687 . . . . 0.0 112.566 -173.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -137.85 169.8 17.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.008 2.123 . . . . 0.0 111.703 -171.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.05 81.75 2.02 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.848 1.659 . . . . 0.0 111.001 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -79.62 -178.97 6.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.102 2.161 . . . . 0.0 112.464 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 m -143.41 167.43 22.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.095 1.358 . . . . 0.0 110.71 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.06 -57.13 6.22 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.405 1.482 . . . . 0.0 113.112 -161.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.32 -49.77 76.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.781 1.232 . . . . 0.0 112.809 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -62.53 -37.74 87.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.303 1.041 . . . . 0.0 112.016 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -67.92 -53.11 28.89 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.987 0.915 . . . . 0.0 111.303 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -33.62 75.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.582 1.153 . . . . 0.0 113.492 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -38.36 87.65 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.316 0.962 . . . . 0.0 111.914 169.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -36.08 61.01 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.09 -36.98 85.39 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.813 171.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.96 -37.66 87.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.359 1.464 . . . . 0.0 112.04 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 44.7 mtm -71.1 -44.35 65.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.51 0.724 . . . . 0.0 111.679 170.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.52 74.98 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.876 0.87 . . . . 0.0 113.331 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.52 -26.41 61.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.791 1.236 . . . . 0.0 113.885 174.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -82.54 -4.91 58.34 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.697 1.599 . . . . 0.0 113.324 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.79 0.93 6.72 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.324 2.649 . . . . 0.0 112.66 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 93.65 45.64 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.807 2.843 . . . . 0.0 113.991 170.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 47.83 78.38 0.08 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 128.104 2.562 . . . . 0.0 115.12 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -127.7 42.26 3.35 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.359 1.864 . . . . 0.0 110.508 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.18 -43.26 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.964 1.306 . . . . 0.0 113.512 -163.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -59.52 -39.31 94.81 Favored Glycine 0 N--CA 1.477 1.414 0 C-N-CA 124.682 1.134 . . . . 0.0 113.883 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -77.28 -35.83 54.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.308 1.043 . . . . 0.0 112.164 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.12 -42.32 98.32 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.59 -0.694 . . . . 0.0 111.517 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.408 HD12 ' HA2' ' A' ' 58' ' ' GLY . 21.1 mt -51.66 -57.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.97 1.308 . . . . 0.0 109.831 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.57 -47.67 84.66 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.536 0.684 . . . . 0.0 111.152 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -62.84 -30.15 71.28 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.914 -1.116 . . . . 0.0 113.39 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.79 -36.48 70.32 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.171 1.351 . . . . 0.0 113.035 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.89 -45.72 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.395 1.478 . . . . 0.0 109.822 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -36.07 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.673 0.789 . . . . 0.0 111.385 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -61.24 -41.22 96.51 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.872 1.269 . . . . 0.0 111.463 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.68 72.13 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 170.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.89 -26.61 68.68 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.911 1.684 . . . . 0.0 113.275 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.65 -22.99 58.22 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.385 1.074 . . . . 0.0 113.811 172.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -156.18 51.61 0.53 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.165 1.386 . . . . 0.0 113.522 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.3 mt -45.45 -43.42 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.114 1.366 . . . . 0.0 113.731 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.673 1.989 . . . . 0.0 110.88 177.615 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -103.86 107.53 18.45 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.544 1.138 . . . . 0.0 112.228 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.03 131.12 47.56 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.269 1.027 . . . . 0.0 111.021 168.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.83 103.55 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 127.213 2.205 . . . . 0.0 109.32 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -125.4 137.79 54.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.47 178.09 7.56 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 126.949 2.099 . . . . 0.0 112.441 -174.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -137.01 88.02 2.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.834 2.054 . . . . 0.0 109.631 -167.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.81 -177.61 2.87 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.252 1.021 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -130.95 167.47 18.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.735 0.814 . . . . 0.0 111.169 163.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -51.23 -43.36 61.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -165.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.98 -49.97 72.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.056 0.942 . . . . 0.0 112.616 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.78 -44.05 97.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.139 1.375 . . . . 0.0 111.56 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.54 -39.63 94.11 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.503 -0.748 . . . . 0.0 111.611 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.45 -40.45 81.07 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.543 1.137 . . . . 0.0 112.669 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.08 94.39 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.875 0.762 . . . . 0.0 112.153 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.59 -43.23 90.33 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.793 -0.567 . . . . 0.0 112.167 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.44 -38.33 83.79 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.066 0.947 . . . . 0.0 113.311 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -37.83 88.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.053 0.941 . . . . 0.0 112.048 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtm -72.99 -45.32 58.56 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.077 0.951 . . . . 0.0 111.685 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.58 79.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.89 0.876 . . . . 0.0 112.905 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -58.6 -27.54 64.76 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.013 -1.055 . . . . 0.0 113.658 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.49 -21.8 59.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.444 1.498 . . . . 0.0 113.325 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.16 -5.73 25.23 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.135 2.174 . . . . 0.0 113.061 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 98.54 42.42 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 129.728 3.211 . . . . 0.0 113.37 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 57.64 72.53 0.51 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.321 2.648 . . . . 0.0 114.042 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 71.5 p -113.66 26.82 10.05 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.692 2.397 . . . . 0.0 112.176 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.93 -45.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -153.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.92 -40.64 98.65 Favored Glycine 0 N--CA 1.475 1.267 0 O-C-N 121.356 -0.84 . . . . 0.0 113.568 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.6 m -71.87 -35.78 69.91 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.515 -0.991 . . . . 0.0 112.051 172.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.93 -41.73 96.77 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.323 0.649 . . . . 0.0 112.07 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.53 -47.32 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.081 1.352 . . . . 0.0 110.099 176.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.82 -47.23 75.74 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 112.137 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -55.94 -38.56 70.47 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.968 -1.083 . . . . 0.0 112.887 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.61 -40.29 80.45 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.292 0.951 . . . . 0.0 112.257 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.53 -50.24 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.805 1.242 . . . . 0.0 109.651 170.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.71 -34.63 78.28 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.396 0.678 . . . . 0.0 110.847 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.13 -46.53 83.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.935 1.294 . . . . 0.0 111.555 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.35 62.83 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.77 -14.22 61.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.142 1.377 . . . . 0.0 112.978 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -59.59 -21.14 59.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.628 1.171 . . . . 0.0 113.753 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 125.212 1.405 . . . . 0.0 114.542 170.441 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 121.813 0.816 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 127.59 32.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.421 1.489 . . . . 0.0 110.898 168.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.2 t -139.73 110.81 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.95 1.7 . . . . 0.0 109.697 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.2 t -112.49 120.5 41.84 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.961 2.105 . . . . 0.0 111.642 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.36 168.15 19.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.476 1.911 . . . . 0.0 112.339 -170.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -127.69 90.94 3.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.42 1.888 . . . . 0.0 110.623 -169.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -83.75 176.97 8.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.921 2.089 . . . . 0.0 111.882 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -133.0 168.63 18.14 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.725 0.81 . . . . 0.0 112.087 173.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -56.74 -43.07 80.35 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.95 1.3 . . . . 0.0 112.994 -159.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.2 -56.31 22.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.172 0.989 . . . . 0.0 111.934 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -59.37 -39.83 84.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.86 1.264 . . . . 0.0 111.539 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.48 -52.84 59.66 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.021 1.329 . . . . 0.0 111.199 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.03 -40.39 95.54 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.921 1.289 . . . . 0.0 112.387 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -41.56 91.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.335 0.654 . . . . 0.0 111.6 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.23 -31.96 62.8 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -65.08 -37.98 89.28 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -41.75 88.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.979 0.912 . . . . 0.0 111.37 175.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.1 mtm -72.22 -39.37 68.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.905 1.282 . . . . 0.0 112.536 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.51 66.44 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.724 1.21 . . . . 0.0 113.603 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.86 -28.1 65.78 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.799 1.181 . . . . 0.0 113.161 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.36 -28.43 64.05 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.836 1.254 . . . . 0.0 112.208 172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -90.48 3.63 53.38 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.156 1.783 . . . . 0.0 111.928 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . 0.252 0.4 OUTLIER 64.06 54.41 1.68 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.25 2.62 . . . . 0.0 113.422 -177.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 56.66 84.55 0.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.683 2.793 . . . . 0.0 113.945 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -140.72 37.6 1.82 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 127.297 2.239 . . . . 0.0 111.03 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -47.12 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 126.06 1.744 . . . . 0.0 114.644 -170.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.35 93.96 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.242 0.925 . . . . 0.0 113.08 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -75.96 -38.88 57.04 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.37 1.468 . . . . 0.0 112.116 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -61.64 -43.87 98.05 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.934 0.788 . . . . 0.0 110.95 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.6 mt -51.22 -54.69 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.683 1.193 . . . . 0.0 109.246 173.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.02 -57.05 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -51.74 -34.7 40.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.458 2.303 . . . . 0.0 113.817 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -64.08 -40.42 96.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.809 1.244 . . . . 0.0 112.535 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.81 -43.26 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.061 1.744 . . . . 0.0 110.276 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -66.87 -37.99 85.47 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.74 0.7 . . . . 0.0 110.983 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.54 -43.34 94.3 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.143 1.777 . . . . 0.0 111.393 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.4 75.93 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.545 0.738 . . . . 0.0 112.829 171.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.5 -27.32 69.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.918 1.687 . . . . 0.0 112.945 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -58.44 -27.52 64.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.791 1.236 . . . . 0.0 113.052 174.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -154.95 67.57 0.68 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.598 1.959 . . . . 0.0 112.483 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.52 -49.3 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.685 1.194 . . . . 0.0 112.687 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.82 1.648 . . . . 0.0 112.921 177.776 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -85.03 163.89 18.58 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.989 0.916 . . . . 0.0 110.807 170.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.68 126.02 39.24 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.598 . . . . 0.0 110.492 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.57 90.74 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.437 1.895 . . . . 0.0 108.744 -177.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -111.59 116.77 31.38 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.313 1.045 . . . . 0.0 111.533 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.13 178.06 7.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.273 1.429 . . . . 0.0 113.096 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -137.23 92.97 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.984 -167.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -76.28 176.03 8.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.583 1.553 . . . . 0.0 111.368 166.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -127.42 173.67 9.63 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.816 0.846 . . . . 0.0 110.622 162.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.27 -28.62 69.85 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -159.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.44 -53.94 44.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 111.936 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.0 -46.47 85.19 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.841 1.256 . . . . 0.0 110.779 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.36 -39.23 93.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.571 0.748 . . . . 0.0 111.887 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -44.25 89.28 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.477 1.111 . . . . 0.0 111.806 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -60.72 -40.63 93.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.614 0.766 . . . . 0.0 112.525 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.6 -44.39 86.76 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.586 0.63 . . . . 0.0 111.768 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.74 -39.14 83.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -63.0 -36.05 82.26 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.024 1.329 . . . . 0.0 112.581 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.6 mtm -72.91 -47.86 42.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.557 1.143 . . . . 0.0 111.339 169.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.428 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -60.57 -28.55 68.55 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 124.87 1.268 . . . . 0.0 113.242 -176.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -57.37 -28.48 63.21 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.792 1.178 . . . . 0.0 113.139 172.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -70.33 -31.19 68.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.303 1.041 . . . . 0.0 112.36 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -88.75 1.68 54.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.987 2.115 . . . . 0.0 112.5 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 74.99 46.88 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.49 2.716 . . . . 0.0 113.278 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.67 85.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.83 3.252 . . . . 0.0 114.592 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.428 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 78.4 p -124.77 28.27 6.56 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.418 2.687 . . . . 0.0 112.361 -175.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -44.8 -49.42 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 126.246 1.819 . . . . 0.0 115.227 -155.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.14 -42.16 98.44 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.109 0.868 . . . . 0.0 113.328 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 38.3 m -68.99 -36.96 78.43 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.445 -1.033 . . . . 0.0 111.764 171.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.6 -40.4 94.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.562 0.619 . . . . 0.0 112.195 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.77 -51.18 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.467 1.507 . . . . 0.0 109.246 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -57.75 -58.46 8.28 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.373 0.269 . . . . 0.0 110.898 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -49.42 -37.53 25.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.76 2.424 . . . . 0.0 113.156 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.91 -38.38 72.98 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.049 1.34 . . . . 0.0 113.073 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.1 mm -55.0 -50.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.365 1.466 . . . . 0.0 108.662 168.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.1 -36.23 77.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.067 0.547 . . . . 0.0 110.845 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.33 -39.52 93.33 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.276 1.83 . . . . 0.0 112.181 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.5 73.83 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.945 0.898 . . . . 0.0 112.803 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -66.49 -22.64 66.19 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.986 1.714 . . . . 0.0 113.733 -174.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -52.1 -35.08 46.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.414 1.086 . . . . 0.0 113.215 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 N--CA 1.47 0.575 0 C-N-CA 127.15 2.18 . . . . 0.0 110.695 176.34 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 . . . . . 0 N--CA 1.47 0.575 0 CA-C-O 122.159 0.981 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.63 117.68 3.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.518 2.327 . . . . 0.0 111.553 160.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.411 HG11 HD13 ' B' ' 61' ' ' ILE . 53.4 t -141.12 99.2 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.604 1.562 . . . . 0.0 109.779 -174.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -114.29 118.98 35.44 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.899 1.28 . . . . 0.0 112.459 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -122.8 169.47 11.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.017 2.127 . . . . 0.0 111.949 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -128.81 80.45 1.97 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.068 1.747 . . . . 0.0 110.184 -165.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.05 168.65 19.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.213 1.805 . . . . 0.0 110.488 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -95.16 169.07 10.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.541 -0.725 . . . . 0.0 112.275 169.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -53.48 -41.67 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.247 0.619 . . . . 0.0 111.485 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.28 -55.25 34.02 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.511 1.125 . . . . 0.0 112.185 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -57.93 -41.57 83.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.056 0.142 . . . . 0.0 110.909 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.57 -47.12 82.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.108 0.963 . . . . 0.0 112.626 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -36.25 83.7 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.381 0.673 . . . . 0.0 112.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.96 -41.21 91.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.566 1.076 . . . . 0.0 111.855 169.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.53 -43.76 89.02 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.07 -43.65 87.06 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.257 0.935 . . . . 0.0 112.446 171.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.52 -26.78 66.5 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.301 -0.874 . . . . 0.0 112.806 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.71 -49.85 23.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 163.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -58.61 -27.95 65.15 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.818 1.647 . . . . 0.0 113.993 -177.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.14 -26.14 64.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.484 1.038 . . . . 0.0 113.07 171.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.04 -29.89 68.12 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.179 -0.95 . . . . 0.0 112.663 172.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -93.24 1.95 56.83 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.693 1.997 . . . . 0.0 112.161 171.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 70.93 49.44 0.36 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.414 2.686 . . . . 0.0 112.977 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 64.42 104.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 130.175 3.39 . . . . 0.0 114.702 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.519 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 61.8 p -148.09 24.47 1.04 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.265 2.226 . . . . 0.0 112.113 -171.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.02 122.32 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.247 1.019 . . . . 0.0 110.489 -171.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . 116.71 -58.57 0.48 Allowed Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.123 1.344 . . . . 0.0 110.909 -171.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -64.12 -44.07 93.38 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.626 0.77 . . . . 0.0 110.949 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -55.37 -42.37 73.86 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.494 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' A' ' 58' ' ' GLY . 50.9 mt -58.34 -53.1 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.874 1.27 . . . . 0.0 109.466 178.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -59.68 -50.36 74.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.915 0.388 . . . . 0.0 110.573 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -55.35 -36.82 66.73 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.759 1.623 . . . . 0.0 112.494 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -69.8 -43.72 71.49 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.411 1.084 . . . . 0.0 112.792 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.56 -41.97 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.824 1.249 . . . . 0.0 109.985 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.58 -38.3 77.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.498 1.119 . . . . 0.0 110.745 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -61.32 -43.35 99.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.555 1.542 . . . . 0.0 111.67 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.12 86.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.247 1.019 . . . . 0.0 112.643 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -29.03 69.99 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.22 1.408 . . . . 0.0 112.562 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -29.57 64.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.685 1.594 . . . . 0.0 114.162 171.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -158.3 58.37 0.46 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.148 1.779 . . . . 0.0 113.435 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.96 -50.91 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.099 0.96 . . . . 0.0 111.945 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.726 1.61 . . . . 0.0 113.332 175.353 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.592 0.234 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.93 173.59 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.578 1.551 . . . . 0.0 111.616 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.96 117.41 21.68 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.209 1.404 . . . . 0.0 111.234 -175.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.411 HG13 HD13 ' A' ' 61' ' ' ILE . 45.9 t -126.03 90.11 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.608 1.963 . . . . 0.0 109.093 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 17.5 t -109.57 126.35 53.5 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.64 0.776 . . . . 0.0 111.491 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -120.64 163.0 18.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.514 1.926 . . . . 0.0 111.372 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -127.02 81.05 1.99 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.747 2.019 . . . . 0.0 108.91 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.31 178.63 5.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.595 1.558 . . . . 0.0 111.549 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -138.49 -179.73 5.98 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.535 1.134 . . . . 0.0 110.836 168.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -52.52 -53.14 49.98 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.02 1.328 . . . . 0.0 113.168 -164.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.98 -51.95 67.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.412 1.085 . . . . 0.0 112.649 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -56.28 -48.41 76.67 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.536 1.534 . . . . 0.0 111.105 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -67.18 -40.18 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.683 0.793 . . . . 0.0 111.895 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.49 -45.08 85.0 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.504 1.122 . . . . 0.0 112.582 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -40.79 94.81 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.794 0.724 . . . . 0.0 111.799 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.494 HD13 ' CG1' ' B' ' 61' ' ' ILE . 0.6 OUTLIER -67.14 -39.52 86.57 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.95 -40.2 94.72 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.354 -0.842 . . . . 0.0 112.679 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.79 -38.13 84.29 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.373 1.069 . . . . 0.0 111.732 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mtm -66.77 -44.75 80.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.016 1.327 . . . . 0.0 112.289 168.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.497 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.84 -20.68 58.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.488 1.515 . . . . 0.0 114.579 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.66 -26.56 63.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.581 1.082 . . . . 0.0 113.396 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -70.75 -30.61 67.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.394 1.078 . . . . 0.0 112.474 172.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.3 2.73 46.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.826 1.65 . . . . 0.0 112.261 169.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 66.07 48.78 1.67 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.574 2.35 . . . . 0.0 112.296 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 62.38 99.34 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 129.207 3.003 . . . . 0.0 113.923 -172.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.497 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 3.1 t -146.02 39.84 1.13 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.1 1.36 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.45 116.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.778 1.231 . . . . 0.0 110.133 -173.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . 0.423 ' HA2' HD12 ' B' ' 61' ' ' ILE . . . 122.81 -58.87 0.6 Allowed Glycine 0 N--CA 1.471 1.012 0 C-N-CA 125.227 1.394 . . . . 0.0 110.676 -170.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -63.13 -38.36 90.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.352 -1.087 . . . . 0.0 111.184 171.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -40.55 87.68 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.576 0.751 . . . . 0.0 112.841 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.494 ' CG1' HD13 ' B' ' 46' ' ' LEU . 6.5 mt -56.72 -52.09 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.015 1.326 . . . . 0.0 110.144 175.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -58.03 10.08 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 110.423 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -55.92 -36.21 67.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.184 1.794 . . . . 0.0 112.105 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -63.49 -49.2 74.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.513 1.052 . . . . 0.0 111.968 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.2 mm -64.07 -43.79 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 126.149 1.78 . . . . 0.0 110.517 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.65 -32.66 70.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.085 0.954 . . . . 0.0 110.703 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -68.37 -46.96 68.64 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.507 1.523 . . . . 0.0 111.694 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.08 73.29 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.193 0.997 . . . . 0.0 112.391 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.55 -27.14 68.4 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.66 1.584 . . . . 0.0 113.184 -177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -59.2 -39.87 83.97 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.301 1.04 . . . . 0.0 112.63 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? . . . . . 0 N--CA 1.476 0.841 0 C-N-CA 126.595 1.958 . . . . 0.0 112.706 171.612 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.634 0.254 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 132.59 54.31 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.403 0.681 . . . . 0.0 111.216 170.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.4 95.24 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.718 2.007 . . . . 0.0 108.389 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -115.49 109.25 17.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.413 1.485 . . . . 0.0 110.573 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.6 163.17 23.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.585 1.154 . . . . 0.0 112.94 -164.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -126.76 79.04 1.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.796 1.638 . . . . 0.0 110.243 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 32.6 m-85 -77.35 166.3 23.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.541 1.936 . . . . 0.0 111.374 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -122.51 172.34 8.44 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.293 0.637 . . . . 0.0 111.596 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -53.85 -54.12 42.99 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.757 1.223 . . . . 0.0 112.776 -160.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.28 -53.21 59.93 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.026 0.93 . . . . 0.0 112.745 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -58.49 -41.38 85.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.092 0.957 . . . . 0.0 111.0 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.53 -49.16 51.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.722 0.809 . . . . 0.0 112.437 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.847 1.259 . . . . 0.0 112.687 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.03 98.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.616 -0.677 . . . . 0.0 110.706 171.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.31 -33.17 75.13 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.0 -41.23 95.58 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.3 -0.875 . . . . 0.0 112.165 171.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -63.56 -36.56 84.18 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.051 0.94 . . . . 0.0 112.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.0 mtp -69.09 -47.14 65.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.875 1.67 . . . . 0.0 111.362 171.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -61.67 -25.3 67.31 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 126.342 1.857 . . . . 0.0 113.8 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -58.1 -25.62 61.58 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.585 1.084 . . . . 0.0 112.877 170.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -75.1 -25.4 58.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.01 0.924 . . . . 0.0 113.438 172.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -87.09 1.03 54.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.206 1.802 . . . . 0.0 112.017 166.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 73.8 44.65 0.27 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.245 2.618 . . . . 0.0 112.473 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 59.3 91.4 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 129.747 3.219 . . . . 0.0 113.424 -175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 7.5 t -140.72 40.05 1.85 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.808 2.043 . . . . 0.0 110.005 -176.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.63 138.09 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.754 1.222 . . . . 0.0 111.439 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.48 -54.02 1.75 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 125.381 1.467 . . . . 0.0 110.637 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.6 t -62.9 -39.78 95.56 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.191 -1.182 . . . . 0.0 111.085 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.92 -38.6 70.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.329 1.052 . . . . 0.0 112.768 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.53 -54.68 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 124.271 1.028 . . . . 0.0 109.679 173.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -63.69 -49.67 72.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.96 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -48.19 -43.21 31.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.196 1.398 . . . . 0.0 111.636 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -38.31 56.45 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.3 -42.81 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.403 1.081 . . . . 0.0 109.913 170.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -38.75 78.67 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 109.837 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.74 -39.79 92.81 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.315 1.446 . . . . 0.0 112.561 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.67 71.15 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.103 0.961 . . . . 0.0 111.152 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.62 -27.41 69.22 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.74 1.616 . . . . 0.0 113.653 -172.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -57.39 -33.98 68.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.322 1.049 . . . . 0.0 113.279 170.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -158.39 67.58 0.46 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.613 1.565 . . . . 0.0 112.94 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.07 -49.71 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.793 0.837 . . . . 0.0 112.229 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.981 1.712 . . . . 0.0 113.273 -176.738 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 121.366 0.603 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.19 166.17 13.09 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.402 1.881 . . . . 0.0 110.885 173.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.93 118.63 16.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.12 1.368 . . . . 0.0 110.784 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 t -133.59 90.09 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.239 1.416 . . . . 0.0 110.266 -165.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 26.4 t -101.09 118.76 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.993 1.717 . . . . 0.0 112.929 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -125.24 172.77 9.28 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.366 2.267 . . . . 0.0 112.284 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -130.85 90.53 2.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.082 2.153 . . . . 0.0 109.967 -177.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -77.55 174.25 11.09 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 126.486 1.914 . . . . 0.0 111.576 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.5 p -115.41 172.72 6.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.149 0.98 . . . . 0.0 113.622 168.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.53 -44.24 65.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.303 1.441 . . . . 0.0 111.81 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.86 -55.75 23.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.905 1.282 . . . . 0.0 112.082 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -56.9 -38.5 72.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.475 1.91 . . . . 0.0 112.161 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.61 -48.11 42.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.81 1.244 . . . . 0.0 111.601 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.44 -40.57 97.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.559 1.144 . . . . 0.0 112.93 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -57.74 -42.36 83.73 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.086 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.403 HD13 HG12 ' B' ' 61' ' ' ILE . 4.8 mt -81.33 -23.95 37.46 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.85 -41.56 95.6 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.367 -0.833 . . . . 0.0 112.596 169.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.46 -40.1 81.74 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.764 1.226 . . . . 0.0 111.698 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 82.7 mtp -73.51 -40.18 64.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.025 1.73 . . . . 0.0 112.713 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.87 -27.36 65.1 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 113.175 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -58.2 -25.25 61.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.297 -0.877 . . . . 0.0 113.279 171.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.94 -25.26 61.81 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.217 1.007 . . . . 0.0 113.372 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.03 -3.11 51.93 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.603 1.561 . . . . 0.0 112.226 168.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 77.43 50.0 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.628 2.771 . . . . 0.0 112.212 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.9 100.59 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.927 3.291 . . . . 0.0 114.205 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.54 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 96.8 p -143.65 30.76 1.33 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.712 2.405 . . . . 0.0 110.769 -175.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.75 139.28 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.246 -0.909 . . . . 0.0 111.312 -175.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.75 -52.27 2.63 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.963 1.268 . . . . 0.0 110.983 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -64.53 -43.74 93.04 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.979 -0.719 . . . . 0.0 110.521 171.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -38.28 86.89 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.583 -0.698 . . . . 0.0 112.7 174.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.403 HG12 HD13 ' B' ' 46' ' ' LEU . 89.1 mt -57.23 -48.8 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 109.133 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -59.75 -52.88 63.59 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.006 0.522 . . . . 0.0 112.006 174.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -50.93 -44.46 60.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.963 1.705 . . . . 0.0 112.008 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -64.11 -44.21 92.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.298 1.047 . . . . 0.0 111.838 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.69 -51.83 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.84 1.656 . . . . 0.0 110.242 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.61 -19.48 60.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -72.71 -45.17 60.14 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 127.572 2.349 . . . . 0.0 111.582 168.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.8 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.103 0.961 . . . . 0.0 112.169 174.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.1 -39.43 66.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.773 2.029 . . . . 0.0 111.67 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -60.52 -18.98 55.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 114.168 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 126.468 1.907 . . . . 0.0 113.288 173.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 121.695 0.759 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 129.35 41.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.396 1.078 . . . . 0.0 111.722 170.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -145.2 112.7 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.181 1.792 . . . . 0.0 109.221 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -122.53 140.82 52.34 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.836 1.255 . . . . 0.0 113.418 -168.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.93 164.12 27.65 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.033 -172.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -129.09 72.44 1.47 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.698 1.199 . . . . 0.0 110.546 -164.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -73.78 168.07 20.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.425 1.89 . . . . 0.0 112.95 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -95.15 163.97 13.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 123.494 0.718 . . . . 0.0 112.019 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.51 -49.25 46.64 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.407 0.683 . . . . 0.0 111.344 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.41 -60.0 4.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 113.347 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.98 -30.65 71.08 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -70.3 -50.29 40.85 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.935 -1.103 . . . . 0.0 113.017 172.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.02 -33.89 75.2 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.408 0.683 . . . . 0.0 112.325 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -34.47 72.24 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.098 1.359 . . . . 0.0 112.995 169.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -47.68 47.86 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.721 1.146 . . . . 0.0 112.458 164.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.99 -36.68 70.64 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.363 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.28 -39.07 89.16 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 0.0 111.99 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 23.3 ttp -72.5 -43.62 63.37 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.11 1.364 . . . . 0.0 112.246 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.42 -28.37 66.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.798 2.039 . . . . 0.0 114.186 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.96 -22.57 60.41 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -70.66 -31.87 68.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.729 1.212 . . . . 0.0 113.573 171.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.42 -0.91 57.7 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.228 2.211 . . . . 0.0 113.168 169.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 73.7 45.67 0.23 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.899 2.48 . . . . 0.0 112.857 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 65.27 102.78 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 129.371 3.068 . . . . 0.0 114.457 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.473 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 92.9 p -143.47 36.94 1.34 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.421 2.288 . . . . 0.0 110.615 -177.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.43 126.59 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 120.77 -1.206 . . . . 0.0 111.678 -169.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.32 -44.0 2.33 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 125.759 1.647 . . . . 0.0 112.218 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.1 m -66.34 -33.33 75.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.204 -1.174 . . . . 0.0 111.903 168.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 49' ' ' MET . 1.4 t80 -60.6 -41.78 95.45 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.435 -0.791 . . . . 0.0 112.065 170.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -48.71 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.007 0.923 . . . . 0.0 109.508 173.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -63.73 -47.35 81.41 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -55.85 -40.31 72.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.348 1.059 . . . . 0.0 112.809 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -38.68 87.07 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.281 1.032 . . . . 0.0 112.385 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.471 HG21 HD11 ' B' ' 46' ' ' LEU . 7.4 mm -77.55 -35.22 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.572 1.149 . . . . 0.0 111.696 177.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -34.94 78.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 110.628 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.73 -45.33 86.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 112.204 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.71 87.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.894 0.878 . . . . 0.0 112.988 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.33 -16.3 63.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.798 1.639 . . . . 0.0 113.892 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -59.64 -28.97 67.7 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -159.79 48.02 0.28 Allowed 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -168.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.5 mm -49.71 -37.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 124.624 1.17 . . . . 0.0 113.486 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 N--CA 1.483 1.199 0 C-N-CA 128.603 2.761 . . . . 0.0 113.982 177.427 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 123.197 1.475 . . . . 0.0 114.35 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -86.09 101.4 12.92 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.736 -1.574 . . . . 0.0 111.38 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 122.58 14.78 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.125 0.97 . . . . 0.0 111.168 169.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.5 88.65 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.245 2.218 . . . . 0.0 108.515 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 18.3 t -101.45 135.75 42.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.111 0.964 . . . . 0.0 112.241 -177.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.1 mt -125.79 156.57 39.29 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.54 1.936 . . . . 0.0 110.141 -170.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.04 80.23 1.88 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.148 1.379 . . . . 0.0 110.035 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -70.39 176.96 3.63 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.876 1.27 . . . . 0.0 111.483 166.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -126.44 178.71 5.69 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.709 0.804 . . . . 0.0 110.063 156.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -45.73 -47.82 15.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.469 1.507 . . . . 0.0 114.481 -160.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.83 -55.64 27.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.028 0.931 . . . . 0.0 112.442 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.93 -36.26 82.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.634 1.174 . . . . 0.0 112.884 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -64.36 -47.42 79.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.35 1.06 . . . . 0.0 111.709 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.46 -35.97 81.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.314 1.045 . . . . 0.0 112.782 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -57.88 -43.49 86.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.094 1.357 . . . . 0.0 111.981 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.507 HD13 HG12 ' B' ' 61' ' ' ILE . 10.2 mt -75.53 -31.76 60.23 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.0 -38.62 91.55 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 170.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -37.48 87.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.296 1.038 . . . . 0.0 111.455 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.57 -48.07 76.37 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.796 1.238 . . . . 0.0 111.706 168.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -32.17 71.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.274 1.03 . . . . 0.0 113.426 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.25 -21.97 50.45 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.16 1.384 . . . . 0.0 113.522 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.49 -26.85 63.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.612 1.165 . . . . 0.0 113.456 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -99.61 -18.57 17.26 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.54 1.936 . . . . 0.0 112.996 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . 0.253 19.1 tt0 114.21 54.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 131.227 3.811 . . . . 0.0 112.25 168.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.267 9.0 pt-20 48.1 70.43 0.44 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.692 2.397 . . . . 0.0 114.328 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.3 t -132.52 49.16 2.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.581 1.952 . . . . 0.0 108.958 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.73 129.2 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.716 1.206 . . . . 0.0 111.864 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.75 -55.06 0.67 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 126.103 1.811 . . . . 0.0 110.318 -170.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.9 m -70.91 -42.58 69.74 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.477 -1.013 . . . . 0.0 112.773 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.46 -42.28 98.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.298 1.046 . . . . 0.0 111.717 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.507 HG12 HD13 ' B' ' 46' ' ' LEU . 27.8 mt -57.49 -49.64 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 127.826 2.451 . . . . 0.0 110.171 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -60.19 -53.59 55.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.952 0.501 . . . . 0.0 111.209 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -50.18 -41.12 48.75 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.401 1.08 . . . . 0.0 112.416 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.14 -39.78 65.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.958 0.903 . . . . 0.0 113.347 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.61 -46.68 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.394 1.078 . . . . 0.0 109.796 170.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -32.76 70.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.398 0.679 . . . . 0.0 110.378 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.79 -42.04 99.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.555 1.142 . . . . 0.0 112.352 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.4 83.42 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 171.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -22.2 61.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.164 1.386 . . . . 0.0 113.392 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -58.82 -22.62 59.0 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 165.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.4 pttt . . . . . 0 CA--C 1.554 1.127 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -171.109 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.27 125.19 28.72 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.285 1.034 . . . . 0.0 111.124 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.36 87.84 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.701 1.6 . . . . 0.0 109.043 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 t -110.41 119.63 39.83 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.88 1.272 . . . . 0.0 112.743 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -131.15 168.02 18.15 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.569 2.347 . . . . 0.0 111.663 -172.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -128.59 88.4 2.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.939 2.096 . . . . 0.0 110.049 -171.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -70.57 168.15 16.97 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.3 1.44 . . . . 0.0 111.973 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -106.96 160.94 15.16 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.523 0.729 . . . . 0.0 111.172 170.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -52.23 -48.59 65.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.176 0.99 . . . . 0.0 113.117 -170.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.51 -49.12 79.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.932 0.893 . . . . 0.0 112.298 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.02 -45.03 94.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.041 1.336 . . . . 0.0 110.876 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.79 -47.99 78.7 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.453 1.501 . . . . 0.0 111.71 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.32 -40.44 96.34 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.707 1.203 . . . . 0.0 112.264 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.17 -41.77 89.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.34 0.973 . . . . 0.0 112.01 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.24 -43.36 78.08 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.09 -39.0 88.29 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.566 -0.709 . . . . 0.0 112.73 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.76 -39.86 90.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.032 1.333 . . . . 0.0 111.72 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.2 mtm -71.22 -44.21 65.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.499 1.12 . . . . 0.0 112.111 172.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.81 -30.39 68.88 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.898 1.279 . . . . 0.0 113.397 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.83 -28.11 61.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.092 0.86 . . . . 0.0 113.058 171.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.41 -26.69 61.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.412 1.085 . . . . 0.0 113.257 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -90.54 -0.65 57.75 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.162 1.785 . . . . 0.0 112.762 168.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 74.92 52.76 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 128.059 2.544 . . . . 0.0 112.448 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 59.08 84.07 0.12 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.215 3.006 . . . . 0.0 114.311 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.435 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 88.7 p -123.89 18.47 9.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.088 2.555 . . . . 0.0 113.442 -174.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 t -40.43 -55.0 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.767 . . . . 0.0 115.749 -152.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.39 94.81 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-N 119.059 0.845 . . . . 0.0 113.467 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.8 m -69.02 -38.31 79.13 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.238 -1.154 . . . . 0.0 111.585 170.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.23 -44.83 88.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 111.292 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.71 -61.59 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.856 1.662 . . . . 0.0 109.194 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -54.24 -50.81 66.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.801 0.84 . . . . 0.0 112.158 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.98 -37.34 74.05 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.717 0.807 . . . . 0.0 112.865 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.91 -43.81 82.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.681 1.128 . . . . 0.0 112.061 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.481 HD13 HG12 ' B' ' 61' ' ' ILE . 6.1 mt -61.47 -40.81 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.876 1.67 . . . . 0.0 110.765 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -34.46 71.09 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.749 0.819 . . . . 0.0 111.062 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.97 -39.32 93.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.016 1.326 . . . . 0.0 111.91 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.86 84.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.401 0.68 . . . . 0.0 112.453 168.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.65 -34.11 75.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.97 1.308 . . . . 0.0 111.672 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -56.85 -21.52 29.78 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.985 1.714 . . . . 0.0 114.566 171.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -108.17 -29.45 8.92 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.229 1.812 . . . . 0.0 113.877 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.0 -43.72 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.663 1.185 . . . . 0.0 111.118 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.258 1.823 . . . . 0.0 113.112 176.393 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -83.98 167.37 16.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.901 1.68 . . . . 0.0 110.906 175.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.76 112.01 15.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.261 1.425 . . . . 0.0 111.027 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 90.15 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.329 1.852 . . . . 0.0 109.267 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -120.04 116.59 26.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.526 1.13 . . . . 0.0 112.438 -174.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -113.38 161.67 17.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.655 1.582 . . . . 0.0 111.178 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.0 80.22 1.42 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.87 1.668 . . . . 0.0 109.93 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' B' ' 61' ' ' ILE . 4.6 m-85 -75.16 177.36 6.52 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.205 1.802 . . . . 0.0 110.639 174.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -137.45 179.5 6.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.171 -0.956 . . . . 0.0 110.938 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -46.89 -53.3 12.47 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.536 1.534 . . . . 0.0 114.059 -167.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.18 -58.6 6.49 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.786 1.175 . . . . 0.0 113.084 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -56.27 -42.48 77.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.958 1.703 . . . . 0.0 111.722 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.65 -40.85 61.2 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.429 1.092 . . . . 0.0 112.732 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -35.92 74.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.989 0.916 . . . . 0.0 111.78 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -62.42 -40.46 96.64 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.984 0.914 . . . . 0.0 111.97 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.545 HD11 HG13 ' B' ' 61' ' ' ILE . 1.0 OUTLIER -60.02 -43.45 95.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 167.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.43 -38.04 85.72 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.994 0.816 . . . . 0.0 112.854 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -61.77 -41.87 98.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.44 1.496 . . . . 0.0 111.592 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.3 mtp -68.43 -48.2 65.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.934 2.094 . . . . 0.0 111.084 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.563 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -61.0 -30.55 70.35 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.431 1.893 . . . . 0.0 114.175 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -58.18 -29.99 66.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.774 1.17 . . . . 0.0 112.852 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -77.97 -14.02 59.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.462 1.105 . . . . 0.0 113.072 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -102.75 4.35 37.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.838 2.055 . . . . 0.0 111.601 166.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 63.64 58.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.59 2.356 . . . . 0.0 112.31 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 62.97 94.72 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.09 2.556 . . . . 0.0 114.331 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.563 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 5.6 t -138.95 39.04 2.15 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.386 2.674 . . . . 0.0 109.921 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.91 130.63 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.487 -1.383 . . . . 0.0 111.227 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.07 -43.62 3.26 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 125.461 1.505 . . . . 0.0 111.384 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -62.08 -34.75 76.87 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.237 -1.155 . . . . 0.0 111.401 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.05 -40.55 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.781 1.232 . . . . 0.0 112.419 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.545 HG13 HD11 ' B' ' 46' ' ' LEU . 0.1 OUTLIER -56.74 -49.49 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.556 1.542 . . . . 0.0 110.3 177.272 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -58.39 -57.75 11.53 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.147 0.979 . . . . 0.0 109.532 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.47 -43.16 7.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.864 2.065 . . . . 0.0 112.878 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -34.89 75.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.896 1.279 . . . . 0.0 113.954 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.05 -42.01 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 124.034 0.933 . . . . 0.0 110.101 168.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.73 -35.18 74.78 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.368 -0.833 . . . . 0.0 110.417 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.29 -47.53 85.61 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.335 2.254 . . . . 0.0 111.443 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.59 76.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.141 0.976 . . . . 0.0 113.212 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.55 -18.25 65.26 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.36 1.464 . . . . 0.0 113.707 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.65 -48.84 74.31 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.003 1.321 . . . . 0.0 112.127 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 N--CA 1.476 0.855 0 C-N-CA 127.281 2.232 . . . . 0.0 111.199 172.207 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.474 0.736 0 CA-C-O 120.532 0.206 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.05 77.93 2.76 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.559 1.144 . . . . 0.0 111.259 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.68 139.52 50.11 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.203 1.001 . . . . 0.0 112.938 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -145.04 110.09 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.249 1.82 . . . . 0.0 109.752 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -114.84 123.62 49.64 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.861 1.664 . . . . 0.0 111.628 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -134.35 164.87 26.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.276 1.43 . . . . 0.0 113.079 -165.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -119.92 89.39 3.12 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.232 1.813 . . . . 0.0 110.613 -161.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -96.64 -177.72 4.01 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 128.923 2.889 . . . . 0.0 112.277 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -138.59 167.26 22.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.11 0.964 . . . . 0.0 112.712 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.89 -52.62 23.43 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.924 1.689 . . . . 0.0 113.686 -164.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -55.39 -53.21 59.11 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.802 1.241 . . . . 0.0 113.128 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.71 -37.51 79.08 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.138 0.975 . . . . 0.0 111.81 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.19 -49.89 52.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.896 0.878 . . . . 0.0 112.591 173.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -33.56 75.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.844 1.258 . . . . 0.0 113.069 -175.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -62.62 -37.63 87.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.451 1.101 . . . . 0.0 112.145 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 HG12 ' A' ' 61' ' ' ILE . 1.2 mt -75.59 -34.58 60.64 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 172.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.0 -40.31 96.07 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.091 0.956 . . . . 0.0 113.089 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -64.51 -37.49 87.73 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.191 0.996 . . . . 0.0 111.958 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.9 mtm -67.87 -43.67 78.84 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.699 0.8 . . . . 0.0 111.714 170.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.99 -34.92 73.97 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -62.16 -23.64 66.71 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 173.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.92 -39.16 90.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 168.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.54 -4.93 51.13 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.634 1.974 . . . . 0.0 113.556 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 76.78 38.95 0.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.462 2.705 . . . . 0.0 113.109 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 78.91 111.09 0.07 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 129.829 3.252 . . . . 0.0 113.941 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.501 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 77.0 p -155.07 27.19 0.42 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 127.272 2.229 . . . . 0.0 111.242 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 t -54.87 131.12 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.785 1.234 . . . . 0.0 110.377 -174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.98 -46.23 1.33 Allowed Glycine 0 N--CA 1.476 1.331 0 C-N-CA 124.669 1.128 . . . . 0.0 112.301 -171.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -78.68 -40.99 32.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.607 0.763 . . . . 0.0 112.207 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.08 -38.47 70.72 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 111.955 175.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 46' ' ' LEU . 5.0 mt -55.37 -56.56 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.645 1.578 . . . . 0.0 110.569 175.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -63.14 -44.89 94.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -55.61 -38.09 68.99 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.646 1.179 . . . . 0.0 112.335 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.18 -40.01 82.36 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 122.333 1.063 . . . . 0.0 112.917 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.1 mm -67.07 -40.34 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.161 1.385 . . . . 0.0 110.796 173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -34.16 71.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.803 0.841 . . . . 0.0 111.065 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.44 -46.35 86.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.438 1.095 . . . . 0.0 111.415 170.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -31.54 72.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.925 0.89 . . . . 0.0 113.178 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.82 -22.84 66.58 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.549 1.54 . . . . 0.0 113.706 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.54 -25.04 67.83 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -157.78 50.1 0.42 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.287 1.035 . . . . 0.0 113.388 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.4 mt -48.24 -45.49 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.865 1.266 . . . . 0.0 113.579 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.855 1.662 . . . . 0.0 112.258 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -105.32 156.6 18.0 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.947 1.299 . . . . 0.0 112.55 174.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.92 111.37 15.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.527 1.131 . . . . 0.0 112.196 -157.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.63 92.74 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.221 1.808 . . . . 0.0 109.195 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -104.21 120.3 40.85 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.225 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mp -120.24 169.86 9.87 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.901 2.481 . . . . 0.0 110.675 -175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -140.67 77.34 1.6 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.643 1.977 . . . . 0.0 110.674 -173.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -74.47 178.45 5.27 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.21 1.404 . . . . 0.0 112.093 173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.0 m -131.26 178.21 6.88 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.927 1.291 . . . . 0.0 110.733 166.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.09 -47.84 53.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.956 -169.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.19 -51.23 70.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.521 0.728 . . . . 0.0 112.468 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -59.05 -46.41 88.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.957 1.303 . . . . 0.0 111.344 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -69.57 -41.24 76.11 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.538 -0.726 . . . . 0.0 112.373 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.53 -34.76 70.32 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.507 -0.746 . . . . 0.0 112.67 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -65.9 -37.0 84.94 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.892 -1.13 . . . . 0.0 112.548 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.418 HD12 HG13 ' B' ' 61' ' ' ILE . 2.1 mm? -62.36 -44.33 96.73 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.595 -0.691 . . . . 0.0 112.639 165.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.59 -35.6 74.62 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.698 1.199 . . . . 0.0 113.516 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -63.74 -37.46 87.43 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.34 0.656 . . . . 0.0 112.514 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 72.8 mtm -74.76 -42.89 57.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.131 0.973 . . . . 0.0 112.153 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.13 84.28 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.675 0.79 . . . . 0.0 112.658 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.61 -29.05 69.8 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.846 -1.159 . . . . 0.0 113.586 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.29 -29.96 66.84 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.942 1.297 . . . . 0.0 112.763 171.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -82.21 -7.17 59.62 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.604 1.962 . . . . 0.0 113.013 170.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 85.05 38.52 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.341 3.056 . . . . 0.0 113.16 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 69.09 125.11 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.997 3.319 . . . . 0.0 114.053 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 95.4 p -171.06 17.52 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.87 . . . . 0.0 114.21 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.4 m -42.86 -48.65 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -161.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.38 -41.48 99.54 Favored Glycine 0 N--CA 1.476 1.313 0 CA-C-N 119.64 1.109 . . . . 0.0 113.104 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 72.6 m -70.27 -34.88 73.33 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.647 -0.914 . . . . 0.0 112.361 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -62.4 -40.91 98.03 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.404 1.002 . . . . 0.0 112.193 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.418 HG13 HD12 ' B' ' 46' ' ' LEU . 72.1 mt -59.19 -46.52 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.683 1.193 . . . . 0.0 109.776 176.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -66.27 -48.55 70.1 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.208 0.527 . . . . 0.0 112.398 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 49.1 ttt85 -51.6 -41.15 61.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.584 1.954 . . . . 0.0 112.627 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -38.95 69.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.987 0.915 . . . . 0.0 112.468 -177.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.1 mm -61.56 -44.45 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.571 1.148 . . . . 0.0 110.535 169.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.69 -34.41 73.89 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.673 -0.642 . . . . 0.0 110.812 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -66.19 -40.97 90.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.439 1.096 . . . . 0.0 112.319 173.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.86 81.83 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.713 -0.617 . . . . 0.0 112.573 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -32.03 72.3 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.343 1.057 . . . . 0.0 112.287 -175.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -62.36 -21.72 65.54 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.911 1.284 . . . . 0.0 114.417 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -97.57 -33.1 11.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.595 1.158 . . . . 0.0 112.448 171.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.34 -36.07 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 125.345 1.458 . . . . 0.0 112.872 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.482 1.133 0 C-N-CA 125.446 1.498 . . . . 0.0 111.214 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.18 0.038 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.71 172.12 7.01 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.886 1.275 . . . . 0.0 112.348 168.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 135.26 46.96 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.684 1.594 . . . . 0.0 110.855 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.33 94.75 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 126.178 1.791 . . . . 0.0 108.148 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 t -113.24 112.84 24.42 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.962 1.705 . . . . 0.0 111.179 -170.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.51 170.61 15.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.408 1.083 . . . . 0.0 112.979 -162.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -125.59 86.5 2.55 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.267 1.827 . . . . 0.0 109.563 -167.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -81.7 168.11 18.44 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 110.76 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.0 m -107.07 165.21 11.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.615 0.766 . . . . 0.0 111.619 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -54.35 -45.78 72.8 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.76 -51.4 67.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.328 1.051 . . . . 0.0 112.203 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.13 -42.95 91.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.486 1.114 . . . . 0.0 111.226 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -66.5 -45.09 80.75 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.519 0.728 . . . . 0.0 112.704 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.14 -41.4 88.22 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.124 0.969 . . . . 0.0 112.155 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -59.43 -42.82 92.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.728 1.211 . . . . 0.0 111.975 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.499 HD11 HG13 ' A' ' 61' ' ' ILE . 1.2 mm? -63.86 -45.04 91.25 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 172.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.35 -38.61 87.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.732 0.813 . . . . 0.0 112.902 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.03 -41.2 96.13 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.363 1.065 . . . . 0.0 111.086 176.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.6 mtm -72.05 -42.41 66.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.51 1.124 . . . . 0.0 112.405 172.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.01 68.5 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.297 1.439 . . . . 0.0 112.998 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.444 1.02 . . . . 0.0 113.134 171.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -76.87 -16.67 59.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.906 1.283 . . . . 0.0 113.021 174.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -98.5 1.87 47.06 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.647 1.979 . . . . 0.0 111.932 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 70.32 59.67 0.24 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.658 2.383 . . . . 0.0 112.345 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.286 10.0 pt-20 48.12 83.74 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.383 3.073 . . . . 0.0 115.175 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -141.8 59.83 1.48 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.845 1.658 . . . . 0.0 108.63 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.34 138.66 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 121.171 -0.956 . . . . 0.0 110.922 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.73 -45.34 2.72 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 125.457 1.503 . . . . 0.0 111.505 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 m -62.09 -40.47 95.94 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.479 -1.012 . . . . 0.0 111.286 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -59.29 -43.47 92.58 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.89 0.876 . . . . 0.0 112.143 172.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.499 HG13 HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.6 -51.32 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 124.749 1.22 . . . . 0.0 109.57 172.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -62.33 -48.74 78.52 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.341 0.656 . . . . 0.0 109.964 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -56.76 -38.2 72.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.996 0.918 . . . . 0.0 113.321 174.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -40.91 91.32 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.773 1.17 . . . . 0.0 112.154 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.33 -43.47 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.692 1.597 . . . . 0.0 110.178 174.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mp -70.42 -34.82 72.94 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 111.26 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -59.11 -49.07 79.28 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.017 1.727 . . . . 0.0 110.734 169.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.12 -30.93 69.3 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.654 1.182 . . . . 0.0 113.774 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -29.86 70.4 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.47 1.508 . . . . 0.0 112.886 -173.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -65.8 -23.53 66.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.344 1.857 . . . . 0.0 113.694 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -145.36 30.86 1.11 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.689 1.596 . . . . 0.0 114.834 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.8 mt -49.61 -41.59 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.055 0.942 . . . . 0.0 112.261 172.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.7 2.0 . . . . 0.0 112.794 177.241 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -85.72 168.03 14.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 111.716 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.91 118.83 22.29 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.285 1.834 . . . . 0.0 109.681 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 17.7 t -130.32 95.73 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.168 1.787 . . . . 0.0 108.845 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -108.11 116.61 32.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.502 1.521 . . . . 0.0 112.731 -177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.26 157.14 18.15 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.901 1.68 . . . . 0.0 110.344 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -129.71 88.52 2.69 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.329 1.452 . . . . 0.0 111.168 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.444 ' CZ ' HD11 ' B' ' 61' ' ' ILE . 75.5 m-85 -84.32 166.74 17.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.757 1.623 . . . . 0.0 112.467 174.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 72.1 p -132.74 87.4 2.41 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 122.146 0.974 . . . . 0.0 112.483 -171.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 t70 58.04 -77.67 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.379 2.672 . . . . 0.0 113.675 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -51.88 62.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.822 1.649 . . . . 0.0 112.612 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -57.68 -43.6 85.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.664 1.185 . . . . 0.0 112.201 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -65.71 -41.08 92.75 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.84 0.745 . . . . 0.0 112.573 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -37.42 85.69 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.683 0.793 . . . . 0.0 112.393 177.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -60.46 -43.91 96.42 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.126 0.875 . . . . 0.0 111.019 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 -43.45 91.21 Favored 'General case' 0 C--O 1.225 -0.192 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.58 -38.05 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -67.46 -37.66 83.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.658 1.183 . . . . 0.0 112.348 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 45.0 mtp -64.98 -52.21 57.49 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.164 1.786 . . . . 0.0 110.196 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.536 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -57.75 -35.8 71.22 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.96 1.704 . . . . 0.0 114.077 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.68 -26.12 66.87 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.033 0.833 . . . . 0.0 112.993 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -72.72 -27.6 62.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.095 0.958 . . . . 0.0 113.242 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.64 -0.91 57.75 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.753 1.221 . . . . 0.0 112.726 166.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.9 53.42 0.14 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 128.488 2.715 . . . . 0.0 112.41 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 73.15 102.14 0.07 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 129.024 2.93 . . . . 0.0 114.066 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.536 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 30.6 p -152.99 30.29 0.5 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 128.894 2.877 . . . . 0.0 110.893 -169.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.77 118.41 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 120.387 -1.445 . . . . 0.0 111.401 -167.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.81 -47.22 1.32 Allowed Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.587 1.565 . . . . 0.0 111.498 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.4 m -59.16 -35.62 73.85 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.066 -1.255 . . . . 0.0 111.637 169.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.1 -37.19 86.57 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.856 0.862 . . . . 0.0 112.886 172.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.444 HD11 ' CZ ' ' B' ' 38' ' ' PHE . 0.1 OUTLIER -57.54 -49.68 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.124 0.97 . . . . 0.0 109.558 173.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -60.16 -50.35 74.03 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 123.299 0.64 . . . . 0.0 110.473 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -48.24 -47.65 35.72 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.43 -43.47 77.05 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.129 1.372 . . . . 0.0 112.798 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 19.2 mm -66.0 -39.47 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 125.049 1.34 . . . . 0.0 110.193 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.62 -27.53 51.17 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.385 1.074 . . . . 0.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -63.02 -45.77 90.75 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.941 1.696 . . . . 0.0 111.523 165.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.11 -42.12 85.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.672 0.789 . . . . 0.0 112.697 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -30.01 71.12 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.259 1.424 . . . . 0.0 113.068 -173.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -60.39 -24.8 65.41 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.774 1.23 . . . . 0.0 113.819 173.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -158.39 68.75 0.48 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.201 1.401 . . . . 0.0 113.539 170.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 30.8 mt -53.21 -41.38 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.357 1.063 . . . . 0.0 113.634 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.562 1.945 . . . . 0.0 114.971 -171.8 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -75.74 100.95 4.86 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 120.363 -1.461 . . . . 0.0 110.926 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 137.69 58.26 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.554 1.142 . . . . 0.0 112.231 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' B' ' 38' ' ' PHE . 22.1 t -130.91 86.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.424 1.89 . . . . 0.0 108.991 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 t -106.25 106.29 16.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.475 1.11 . . . . 0.0 111.406 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -132.17 165.26 24.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.807 1.643 . . . . 0.0 112.75 -168.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -135.81 84.08 2.06 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.0 1.72 . . . . 0.0 109.716 -164.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -76.89 172.83 12.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.01 1.724 . . . . 0.0 110.944 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -108.3 160.79 15.58 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.625 0.77 . . . . 0.0 111.282 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.61 -50.54 62.86 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 123.262 0.625 . . . . 0.0 112.376 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.42 -49.29 77.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.021 0.828 . . . . 0.0 112.373 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -57.6 -47.03 83.29 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.65 1.18 . . . . 0.0 111.397 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -68.36 -48.53 64.56 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.659 0.783 . . . . 0.0 111.884 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -38.0 84.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.638 1.175 . . . . 0.0 112.129 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -44.35 85.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.102 0.864 . . . . 0.0 111.532 170.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.36 -37.75 74.65 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.74 -41.78 98.1 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.342 1.057 . . . . 0.0 112.428 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.16 -36.7 82.63 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.573 1.149 . . . . 0.0 112.207 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.5 mtm -72.47 -41.61 65.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.704 1.201 . . . . 0.0 112.128 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.38 66.74 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.683 1.193 . . . . 0.0 113.584 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -56.67 -26.52 56.55 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.591 1.087 . . . . 0.0 113.251 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -71.26 -31.04 67.04 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.006 0.922 . . . . 0.0 112.962 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.62 2.47 53.08 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.205 2.202 . . . . 0.0 112.863 169.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 72.87 46.72 0.24 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.048 2.539 . . . . 0.0 113.074 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 55.19 83.31 0.09 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.777 3.231 . . . . 0.0 115.041 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 t -136.91 62.97 1.58 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.24 1.816 . . . . 0.0 109.65 170.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.83 -41.87 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.884 1.273 . . . . 0.0 112.806 -165.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.96 99.71 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.3 0.952 . . . . 0.0 112.644 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -68.37 -40.24 81.52 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.597 -0.943 . . . . 0.0 111.327 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.59 -40.54 87.77 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.511 0.724 . . . . 0.0 111.724 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -51.64 -60.69 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.817 1.247 . . . . 0.0 109.039 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -62.29 -45.03 95.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.52 0.2 . . . . 0.0 111.092 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -50.12 -43.29 51.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.732 2.013 . . . . 0.0 111.221 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -36.34 71.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.412 1.006 . . . . 0.0 113.413 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.98 -48.54 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.735 1.614 . . . . 0.0 109.6 169.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.0 -37.67 81.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.955 1.302 . . . . 0.0 110.949 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -61.86 -47.2 86.12 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.674 1.99 . . . . 0.0 111.226 173.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.23 80.3 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 112.627 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -24.13 65.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.509 1.923 . . . . 0.0 113.673 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -57.72 -34.02 69.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.043 0.937 . . . . 0.0 113.196 173.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -153.74 56.47 0.74 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.158 1.383 . . . . 0.0 112.624 -172.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.72 -55.19 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.434 1.494 . . . . 0.0 113.336 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.943 1.697 . . . . 0.0 113.096 -174.644 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.968 0.413 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -77.84 171.4 15.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.049 1.74 . . . . 0.0 111.393 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.89 119.08 21.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.57 1.548 . . . . 0.0 110.556 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.28 100.52 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 126.815 2.046 . . . . 0.0 107.884 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -121.85 98.89 6.16 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.839 1.655 . . . . 0.0 111.012 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -120.34 175.73 5.82 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.251 1.821 . . . . 0.0 113.538 -173.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -144.58 91.38 2.17 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.988 2.515 . . . . 0.0 109.17 -164.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.409 ' CD2' HG21 ' A' ' 34' ' ' VAL . 15.2 m-85 -78.79 170.19 17.06 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.664 0.786 . . . . 0.0 111.141 174.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.8 m -108.26 168.13 9.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.856 0.862 . . . . 0.0 111.819 162.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.57 -46.87 67.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.412 1.085 . . . . 0.0 112.68 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.82 -54.45 45.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.326 1.05 . . . . 0.0 112.041 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -53.51 -45.83 69.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.073 1.749 . . . . 0.0 111.705 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -70.08 -42.37 72.85 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.342 0.657 . . . . 0.0 112.116 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -64.46 -38.1 89.83 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.507 1.123 . . . . 0.0 112.489 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -50.46 73.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.641 1.176 . . . . 0.0 110.332 171.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.75 -29.2 66.51 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -66.37 -41.42 89.47 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.257 1.023 . . . . 0.0 112.841 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -63.34 -36.28 83.17 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.635 0.774 . . . . 0.0 111.956 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 77.9 mtp -67.72 -46.47 72.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.566 1.546 . . . . 0.0 111.567 170.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.24 -26.55 66.51 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.252 1.421 . . . . 0.0 113.943 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -58.98 -27.09 65.05 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.248 1.385 . . . . 0.0 113.086 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.35 -29.12 63.5 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.272 1.029 . . . . 0.0 112.562 172.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -89.21 7.33 35.89 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.725 2.01 . . . . 0.0 112.182 168.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.55 45.19 1.14 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.739 2.416 . . . . 0.0 113.787 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 57.51 80.7 0.16 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.83 3.252 . . . . 0.0 113.601 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -136.9 43.75 2.37 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.616 1.966 . . . . 0.0 110.785 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -43.58 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.435 1.894 . . . . 0.0 114.725 -168.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.18 88.07 Favored Glycine 0 N--CA 1.471 0.981 0 C-N-CA 124.23 0.919 . . . . 0.0 112.438 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -68.0 -44.79 75.77 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 123.567 0.747 . . . . 0.0 111.399 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.34 89.02 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.371 0.987 . . . . 0.0 112.229 -178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 32.3 mt -57.17 -45.39 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.937 1.295 . . . . 0.0 110.191 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -62.48 -62.16 1.94 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.652 0.381 . . . . 0.0 110.204 171.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -53.92 -29.46 42.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.999 2.12 . . . . 0.0 114.145 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.72 -38.94 93.01 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.258 1.39 . . . . 0.0 112.654 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.5 mt -71.76 -41.72 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 126.49 1.916 . . . . 0.0 110.978 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 33.4 mt -64.84 -36.45 84.38 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.278 0.944 . . . . 0.0 110.933 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.95 -44.44 94.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 127.188 2.195 . . . . 0.0 111.709 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.28 92.74 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.767 0.827 . . . . 0.0 112.613 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -24.89 68.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.828 1.651 . . . . 0.0 113.303 -176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -53.62 -39.38 64.88 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.32 1.048 . . . . 0.0 112.266 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -157.57 74.19 0.74 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.127 1.771 . . . . 0.0 111.372 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 27.2 mm -48.04 -54.38 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 125.486 1.514 . . . . 0.0 112.178 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 126.457 1.903 . . . . 0.0 112.274 -179.08 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.261 3.5 t . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -102.39 86.66 2.85 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.675 1.99 . . . . 0.0 111.779 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 118.93 7.35 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.662 1.585 . . . . 0.0 112.079 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.1 t -130.96 94.9 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.076 1.75 . . . . 0.0 108.981 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -108.6 124.84 51.12 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.855 1.662 . . . . 0.0 112.707 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -124.19 171.54 9.75 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.775 2.03 . . . . 0.0 111.988 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -129.88 80.94 1.99 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.489 1.915 . . . . 0.0 109.212 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -75.03 161.87 29.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.17 1.788 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -91.51 161.07 15.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.718 -0.614 . . . . 0.0 110.943 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -54.56 -40.07 68.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.618 0.367 . . . . 0.0 111.822 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -59.75 -53.43 58.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.878 1.271 . . . . 0.0 112.103 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -58.2 -43.92 87.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.229 1.412 . . . . 0.0 111.487 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -60.5 -51.46 69.36 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.468 1.507 . . . . 0.0 111.338 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.77 -41.22 97.41 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.244 1.418 . . . . 0.0 112.76 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -60.14 -42.39 94.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.769 0.827 . . . . 0.0 111.129 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -67.35 -35.38 79.26 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 174.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.23 -42.08 96.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.503 -0.748 . . . . 0.0 112.611 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -65.2 -32.21 73.77 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.161 -0.962 . . . . 0.0 112.375 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.0 mtm -70.62 -44.95 66.17 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.572 1.549 . . . . 0.0 112.483 167.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.532 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -57.05 -28.58 62.67 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.028 1.331 . . . . 0.0 113.8 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -57.7 -27.29 62.79 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.853 0.861 . . . . 0.0 113.097 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.64 -29.55 65.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.794 1.238 . . . . 0.0 112.997 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -93.55 3.6 55.28 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.027 1.731 . . . . 0.0 112.596 169.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 70.17 53.98 0.34 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.198 2.599 . . . . 0.0 112.526 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 62.23 95.45 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.102 2.961 . . . . 0.0 113.941 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.532 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 t -149.41 39.07 0.8 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.401 1.48 . . . . 0.0 110.574 -177.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -53.9 128.79 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.461 0.705 . . . . 0.0 109.92 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . 110.5 -54.01 0.56 Allowed Glycine 0 N--CA 1.473 1.113 0 C-N-CA 124.603 1.097 . . . . 0.0 111.394 -170.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -71.45 -38.98 71.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.454 0.702 . . . . 0.0 111.643 171.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.02 -39.14 88.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.41 0.684 . . . . 0.0 112.446 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.474 ' CG1' HD13 ' A' ' 46' ' ' LEU . 22.3 mt -54.15 -55.89 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 125.169 1.387 . . . . 0.0 109.615 171.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -55.3 -56.12 23.64 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 124.419 1.088 . . . . 0.0 110.071 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.91 -45.41 30.73 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.24 1.816 . . . . 0.0 111.865 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.79 -44.92 79.99 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.801 0.81 . . . . 0.0 112.639 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mm -66.2 -43.25 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.033 1.733 . . . . 0.0 110.351 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -32.91 68.71 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 110.593 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.42 -46.44 83.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.708 1.603 . . . . 0.0 111.901 169.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.14 93.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.681 0.793 . . . . 0.0 112.363 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.92 -14.59 63.08 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.25 1.82 . . . . 0.0 113.963 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -56.82 -37.4 71.16 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.464 1.106 . . . . 0.0 112.397 164.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -160.13 70.25 0.43 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.724 2.009 . . . . 0.0 112.783 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mm -54.86 -36.58 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.394 1.078 . . . . 0.0 112.202 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 128.599 2.759 . . . . 0.0 114.945 175.815 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -93.68 99.03 11.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.608 1.563 . . . . 0.0 112.33 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.36 122.48 14.66 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.979 1.712 . . . . 0.0 110.969 166.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.57 95.76 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 127.657 2.383 . . . . 0.0 109.059 -178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.8 t -115.8 136.91 52.6 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.882 1.273 . . . . 0.0 112.741 -174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.93 162.66 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.245 1.418 . . . . 0.0 111.492 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -124.21 91.35 3.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.484 1.914 . . . . 0.0 109.777 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' B' ' 61' ' ' ILE . 78.0 m-85 -79.52 175.74 10.33 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.343 1.457 . . . . 0.0 112.498 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -110.61 171.75 7.28 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.357 1.063 . . . . 0.0 111.408 168.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -58.26 -35.99 72.59 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.68 -59.29 5.63 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.876 1.216 . . . . 0.0 112.238 174.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -47.04 -50.12 20.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.373 2.269 . . . . 0.0 112.069 171.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -65.6 -44.29 87.03 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.399 1.08 . . . . 0.0 112.528 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.63 -33.97 71.58 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.69 -0.631 . . . . 0.0 112.481 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.08 -43.92 97.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.138 0.881 . . . . 0.0 111.198 171.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.93 -43.74 94.75 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.38 -41.51 89.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -68.31 -32.0 71.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.292 1.037 . . . . 0.0 113.077 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 34.7 mtp -72.07 -46.26 57.56 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.065 1.746 . . . . 0.0 111.192 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.23 -20.06 63.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.873 1.669 . . . . 0.0 114.017 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.18 -28.18 51.08 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.82 1.191 . . . . 0.0 113.0 167.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -70.99 -31.69 68.3 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.082 0.953 . . . . 0.0 112.608 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -86.12 2.72 45.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.934 2.094 . . . . 0.0 112.941 169.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 70.08 43.96 0.83 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.732 2.413 . . . . 0.0 113.166 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 54.4 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.459 3.504 . . . . 0.0 116.039 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -137.39 -46.58 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.133 1.373 . . . . 0.0 111.603 172.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 t 71.68 140.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 129.243 3.017 . . . . 0.0 113.137 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.51 -42.81 3.14 Favored Glycine 0 N--CA 1.471 0.992 0 C-N-CA 126.151 1.834 . . . . 0.0 111.501 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -59.13 -37.01 76.23 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.822 1.249 . . . . 0.0 112.015 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.86 -41.35 97.74 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.131 0.972 . . . . 0.0 112.223 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -56.65 -49.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.298 1.439 . . . . 0.0 109.709 175.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -60.63 -54.46 45.11 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 123.015 0.526 . . . . 0.0 109.944 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -53.18 -39.77 63.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.293 1.037 . . . . 0.0 112.648 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -66.61 -46.62 75.27 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.014 1.326 . . . . 0.0 112.757 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 14.8 mm -62.37 -44.68 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 125.768 1.627 . . . . 0.0 109.531 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mp -68.6 -36.74 79.09 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.434 1.094 . . . . 0.0 110.664 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.78 -45.56 92.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.654 1.582 . . . . 0.0 111.749 172.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.8 91.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.688 0.795 . . . . 0.0 112.538 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -29.52 67.51 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.288 1.835 . . . . 0.0 113.044 -173.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -54.56 -35.02 62.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.979 1.711 . . . . 0.0 112.962 173.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -158.97 59.12 0.42 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.221 1.808 . . . . 0.0 113.371 -175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 44.8 mm -47.93 -45.07 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.64 1.176 . . . . 0.0 112.517 171.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.392 1.877 . . . . 0.0 112.191 178.08 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 121.25 0.548 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -118.41 95.12 4.73 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.267 1.827 . . . . 0.0 111.07 176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 128.68 37.76 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 111.121 166.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.8 t -145.97 118.59 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.618 1.567 . . . . 0.0 110.077 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.2 t -123.48 128.66 50.12 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.51 1.924 . . . . 0.0 112.611 -170.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -130.59 166.94 19.56 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.999 1.719 . . . . 0.0 112.867 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -118.48 84.35 2.17 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 127.026 2.13 . . . . 0.0 110.44 -170.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -77.59 -179.4 5.83 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.812 2.045 . . . . 0.0 112.235 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 t -134.9 166.12 23.73 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.834 0.854 . . . . 0.0 112.395 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.69 -51.52 37.74 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.873 1.669 . . . . 0.0 112.759 -164.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.07 -52.46 64.19 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.171 1.388 . . . . 0.0 113.231 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -61.22 -40.46 94.09 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.207 1.003 . . . . 0.0 111.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -69.3 -50.11 49.72 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.586 0.708 . . . . 0.0 112.315 177.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -37.8 87.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.659 1.184 . . . . 0.0 112.243 -176.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -67.25 -38.94 86.0 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.243 -0.911 . . . . 0.0 112.207 173.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.18 -28.97 64.63 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.36 -44.57 82.84 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.386 1.075 . . . . 0.0 113.003 166.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -63.79 -34.68 78.44 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.434 -0.791 . . . . 0.0 112.41 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.499 ' SD ' HD13 ' B' ' 72' ' ' ILE . 67.1 mtp -68.26 -38.42 81.73 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.759 1.224 . . . . 0.0 112.16 171.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.53 -20.61 64.81 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -58.28 -22.72 53.74 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 119.912 1.233 . . . . 0.0 113.712 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -66.74 -32.82 74.36 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.374 1.47 . . . . 0.0 112.846 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -94.97 5.14 52.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.715 2.406 . . . . 0.0 113.17 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 65.82 47.12 2.14 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.123 2.169 . . . . 0.0 113.1 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 60.1 98.19 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.761 3.225 . . . . 0.0 114.383 -175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.503 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 73.2 m -138.76 38.48 2.19 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.581 2.352 . . . . 0.0 109.585 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.64 113.83 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.24 1.416 . . . . 0.0 109.732 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.97 -58.15 0.65 Allowed Glycine 0 N--CA 1.474 1.202 0 C-N-CA 125.582 1.563 . . . . 0.0 111.035 -171.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m -65.06 -38.18 89.97 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.96 -0.73 . . . . 0.0 112.134 170.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -42.38 98.74 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.46 -0.775 . . . . 0.0 111.47 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.1 mt -57.36 -47.59 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.866 0.866 . . . . 0.0 110.504 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -59.98 -52.5 65.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 122.945 0.498 . . . . 0.0 110.976 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -59.28 -27.51 65.89 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.12 -33.03 74.86 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.53 -1.356 . . . . 0.0 113.118 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.3 mm -67.44 -41.77 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.145 1.378 . . . . 0.0 110.784 167.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.3 mt -70.03 -34.6 73.46 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.502 -0.749 . . . . 0.0 111.164 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.11 -34.01 75.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.683 1.993 . . . . 0.0 112.547 171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.63 -33.14 35.98 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 171.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -18.74 65.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.747 1.219 . . . . 0.0 113.614 -168.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -55.1 -21.77 14.09 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 169.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -97.97 -2.61 40.09 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.807 1.243 . . . . 0.0 114.238 173.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.4 mm -116.55 -23.13 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 126.882 2.073 . . . . 0.0 112.929 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.293 2.237 . . . . 0.0 113.021 170.179 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.47 171.26 8.67 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.876 1.271 . . . . 0.0 111.313 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.34 132.01 35.04 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.539 1.136 . . . . 0.0 111.789 -175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -136.48 95.04 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.548 1.939 . . . . 0.0 109.385 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.8 t -106.64 127.17 53.13 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.212 1.005 . . . . 0.0 111.236 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.56 165.79 24.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.933 1.693 . . . . 0.0 110.995 -169.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -131.5 75.36 1.65 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.303 1.441 . . . . 0.0 111.347 -174.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.78 176.54 0.52 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.841 1.256 . . . . 0.0 112.643 168.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 87.8 p -128.36 169.49 14.2 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.517 1.127 . . . . 0.0 111.533 168.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.76 -40.56 63.25 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -166.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.61 -55.83 26.42 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.066 1.346 . . . . 0.0 113.063 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -57.85 -40.28 79.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.712 1.205 . . . . 0.0 112.048 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -67.51 -44.08 79.31 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.411 1.085 . . . . 0.0 112.168 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -66.16 -40.77 90.79 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.954 0.902 . . . . 0.0 112.871 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -36.79 75.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.918 0.887 . . . . 0.0 112.207 173.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.533 HD13 ' CG1' ' B' ' 61' ' ' ILE . 0.4 OUTLIER -77.42 -39.32 47.33 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.9 -39.11 84.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.917 1.287 . . . . 0.0 112.825 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.89 -39.44 89.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.605 1.162 . . . . 0.0 111.705 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -39.72 83.43 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.438 1.095 . . . . 0.0 112.585 173.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.51 -21.55 64.32 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.99 -24.76 55.93 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 121.147 -0.971 . . . . 0.0 113.559 168.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -74.04 -15.76 61.07 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.446 1.898 . . . . 0.0 113.634 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.03 9.65 11.25 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.578 2.351 . . . . 0.0 111.677 174.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.19 62.93 0.68 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.392 2.277 . . . . 0.0 113.214 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.26 9.5 pt-20 47.64 81.66 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 128.309 2.644 . . . . 0.0 115.189 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.5 t -137.62 46.0 2.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.293 1.837 . . . . 0.0 109.908 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.71 112.28 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.548 1.139 . . . . 0.0 110.426 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.27 -54.85 0.74 Allowed Glycine 0 N--CA 1.477 1.379 0 C-N-CA 125.188 1.375 . . . . 0.0 111.755 -171.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.4 m -62.39 -37.75 86.96 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.053 -1.263 . . . . 0.0 111.205 167.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.53 -40.74 95.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.533 ' CG1' HD13 ' B' ' 46' ' ' LEU . 15.6 mt -56.16 -53.75 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.761 1.224 . . . . 0.0 109.734 174.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -61.9 -50.28 72.84 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.868 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -56.65 -37.66 71.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.53 0.732 . . . . 0.0 112.028 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -44.62 66.11 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.23 0.923 . . . . 0.0 112.689 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.29 -45.31 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.066 1.346 . . . . 0.0 109.309 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -33.2 65.86 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.348 1.059 . . . . 0.0 110.744 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -66.94 -40.27 87.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.096 0.958 . . . . 0.0 112.466 171.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.45 86.69 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.553 -0.717 . . . . 0.0 112.397 171.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -21.58 65.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.931 1.692 . . . . 0.0 114.013 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -60.13 -26.35 66.19 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -155.64 64.77 0.6 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.41 1.084 . . . . 0.0 113.105 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.499 HD13 ' SD ' ' A' ' 49' ' ' MET . 3.6 mt -52.42 -39.13 27.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 125.916 1.686 . . . . 0.0 113.778 176.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.804 2.042 . . . . 0.0 114.372 -178.556 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.85 168.81 17.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.67 1.988 . . . . 0.0 111.744 174.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.84 106.83 8.7 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.548 1.939 . . . . 0.0 109.752 -174.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 t -125.93 78.63 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.763 1.225 . . . . 0.0 109.545 -157.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -108.22 121.54 45.08 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.039 1.335 . . . . 0.0 112.339 -164.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.87 166.25 23.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.807 2.043 . . . . 0.0 112.152 -174.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -128.66 89.09 2.83 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.982 2.113 . . . . 0.0 110.137 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.32 174.73 10.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.257 1.423 . . . . 0.0 111.879 175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -120.21 157.84 28.24 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.128 0.971 . . . . 0.0 110.878 172.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.94 -43.95 70.24 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 123.819 0.847 . . . . 0.0 113.074 -168.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.32 -53.76 54.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.146 0.885 . . . . 0.0 112.544 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -60.81 -39.33 88.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.973 0.909 . . . . 0.0 112.137 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -66.96 -53.34 32.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.452 0.701 . . . . 0.0 111.884 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -40.29 88.13 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 111.826 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt -59.34 -39.91 84.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.113 0.87 . . . . 0.0 112.479 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.7 mt -74.63 -30.32 61.6 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.346 0.975 . . . . 0.0 113.489 175.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.1 -44.64 91.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.428 -0.795 . . . . 0.0 112.266 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -62.97 -35.63 80.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.367 1.467 . . . . 0.0 112.002 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 41.8 mmm -66.91 -49.38 65.75 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.845 2.058 . . . . 0.0 111.621 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.71 -20.39 66.26 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -57.48 -24.83 58.06 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.572 1.078 . . . . 0.0 112.912 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.81 -35.59 74.95 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.16 0.984 . . . . 0.0 112.935 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 1.48 33.13 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.321 1.848 . . . . 0.0 112.706 168.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 76.48 40.54 0.22 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 128.48 2.712 . . . . 0.0 113.085 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.66 100.14 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 129.493 3.117 . . . . 0.0 113.951 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.2 p -147.37 37.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.008 2.123 . . . . 0.0 112.168 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -48.57 -47.26 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 125.106 1.362 . . . . 0.0 114.529 -160.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.2 -41.22 99.42 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.624 0.63 . . . . 0.0 113.098 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.0 m -69.44 -39.29 77.91 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.539 -0.977 . . . . 0.0 111.324 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.88 -42.64 89.98 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.761 0.824 . . . . 0.0 111.515 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.4 -59.35 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.437 1.095 . . . . 0.0 109.167 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.92 -42.75 99.46 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -55.2 -42.32 73.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.773 2.029 . . . . 0.0 112.275 174.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -40.35 82.53 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.363 0.983 . . . . 0.0 111.815 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.637 HD11 HD11 ' B' ' 65' ' ' ILE . 64.7 mt -62.6 -44.8 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.847 1.659 . . . . 0.0 110.15 173.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.58 -37.34 79.77 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.905 0.882 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.05 -41.87 99.58 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.525 1.53 . . . . 0.0 112.133 173.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.43 92.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.798 0.839 . . . . 0.0 111.612 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.0 -32.82 73.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.662 1.185 . . . . 0.0 112.25 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -18.29 8.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.102 2.161 . . . . 0.0 115.024 169.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -115.07 -31.53 6.01 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.013 2.125 . . . . 0.0 113.354 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.4 -47.36 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.054 1.742 . . . . 0.0 111.103 172.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.683 1.593 . . . . 0.0 113.567 178.338 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.84 167.77 19.54 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.044 1.338 . . . . 0.0 112.781 169.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.13 113.33 12.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.844 2.058 . . . . 0.0 109.22 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.61 93.24 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.815 1.646 . . . . 0.0 109.081 -163.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -122.62 107.85 12.43 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.375 1.47 . . . . 0.0 111.547 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.59 177.7 4.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.495 1.918 . . . . 0.0 111.955 -174.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -138.68 84.41 2.02 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.528 1.931 . . . . 0.0 109.454 -171.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.77 178.91 1.55 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.808 1.243 . . . . 0.0 111.076 170.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.445 ' H ' ' HG3' ' B' ' 42' ' ' GLN . 11.1 t -128.12 170.57 12.8 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.597 1.159 . . . . 0.0 109.906 164.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.31 -51.52 53.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 0.0 113.016 -160.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.85 -66.77 0.37 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.919 1.287 . . . . 0.0 112.408 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' B' ' 39' ' ' SER . 4.5 pt20 -59.1 -24.45 62.96 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.252 1.421 . . . . 0.0 114.578 -175.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.77 -55.89 6.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.297 1.039 . . . . 0.0 111.557 168.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -28.41 70.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.025 0.93 . . . . 0.0 112.86 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -31.73 73.02 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.953 1.701 . . . . 0.0 111.094 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.36 -38.45 22.0 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 166.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -57.93 -37.8 74.76 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.215 -0.928 . . . . 0.0 113.335 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -33.98 76.65 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.617 1.167 . . . . 0.0 112.354 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 70.5 mtm -74.71 -42.81 57.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.483 1.113 . . . . 0.0 111.739 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.13 67.49 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.29 -26.9 66.86 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.143 -0.973 . . . . 0.0 113.299 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -71.69 -32.02 67.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.288 1.035 . . . . 0.0 112.759 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -80.34 -1.6 41.8 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.006 1.722 . . . . 0.0 112.659 168.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 79.46 42.41 0.07 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 128.926 2.89 . . . . 0.0 112.43 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 63.22 101.97 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 129.246 3.018 . . . . 0.0 114.178 -175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.9 p -149.88 26.76 0.81 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.465 1.906 . . . . 0.0 112.66 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . 0.29 3.6 p -56.31 -32.92 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 120.597 1.544 . . . . 0.0 114.778 -162.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.41 -41.4 63.13 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.617 1.103 . . . . 0.0 114.008 171.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -81.82 -35.43 29.45 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.617 1.567 . . . . 0.0 112.802 172.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -57.62 -41.54 81.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.288 1.035 . . . . 0.0 111.584 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.1 mt -51.62 -58.19 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.329 1.852 . . . . 0.0 108.894 174.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -52.55 65.16 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.42 0.688 . . . . 0.0 111.534 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -54.68 -37.21 65.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.876 1.27 . . . . 0.0 111.765 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.19 -43.39 61.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.161 0.891 . . . . 0.0 113.381 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.637 HD11 HD11 ' A' ' 65' ' ' ILE . 68.8 mt -61.25 -45.56 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.004 1.722 . . . . 0.0 109.602 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -37.16 75.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.532 1.133 . . . . 0.0 110.171 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.93 -43.45 94.94 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.655 1.182 . . . . 0.0 112.049 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.75 89.19 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.502 0.721 . . . . 0.0 112.466 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -25.8 67.68 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.448 1.899 . . . . 0.0 113.796 -177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -59.08 -25.13 63.51 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.182 0.993 . . . . 0.0 113.498 169.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -152.02 50.96 0.79 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.194 1.798 . . . . 0.0 113.536 -172.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.36 -54.23 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.182 0.993 . . . . 0.0 111.703 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.198 1.799 . . . . 0.0 112.623 172.698 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -77.41 72.29 3.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.319 1.448 . . . . 0.0 111.401 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.82 126.89 29.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.578 1.151 . . . . 0.0 111.397 169.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.7 t -144.65 118.7 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.12 1.768 . . . . 0.0 109.147 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -124.97 136.83 54.1 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 126.105 1.762 . . . . 0.0 112.593 -165.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -136.66 163.41 30.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.019 1.727 . . . . 0.0 112.096 -168.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -122.22 89.86 3.19 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.727 1.611 . . . . 0.0 111.022 -174.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -83.68 176.3 9.08 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.136 2.175 . . . . 0.0 112.596 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.0 p -128.57 168.7 15.34 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.511 1.524 . . . . 0.0 112.043 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.26 -53.04 18.55 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.972 0.909 . . . . 0.0 113.391 -173.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.99 -49.97 74.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.745 0.818 . . . . 0.0 112.599 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.98 -38.32 88.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.263 1.025 . . . . 0.0 112.297 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -70.71 -51.09 29.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.53 1.132 . . . . 0.0 111.86 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -37.24 86.94 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.36 1.064 . . . . 0.0 113.193 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -64.65 -29.07 70.06 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.129 -0.982 . . . . 0.0 112.926 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 61' ' ' ILE . 1.3 mt -78.73 -37.1 42.23 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.75 -43.2 99.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.941 0.896 . . . . 0.0 113.258 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -71.3 -28.23 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.538 -0.726 . . . . 0.0 112.765 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.6 mtm -69.19 -43.23 74.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.118 0.967 . . . . 0.0 111.283 167.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -60.83 -28.39 68.78 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.37 -24.55 60.24 Favored 'General case' 0 CA--C 1.555 1.144 0 O-C-N 121.027 -1.046 . . . . 0.0 113.715 170.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.23 -32.96 72.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.994 1.317 . . . . 0.0 113.259 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -86.02 -1.03 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.752 2.021 . . . . 0.0 113.306 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 75.03 43.23 0.22 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.917 2.487 . . . . 0.0 112.909 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 69.56 111.92 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 130.058 3.343 . . . . 0.0 114.27 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.52 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 83.8 p -151.99 25.28 0.64 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.961 2.104 . . . . 0.0 111.327 -173.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.9 116.97 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.807 1.243 . . . . 0.0 110.476 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.82 -51.66 0.73 Allowed Glycine 0 N--CA 1.476 1.31 0 C-N-CA 125.357 1.456 . . . . 0.0 111.916 -169.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -72.22 -41.19 67.15 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.813 -0.816 . . . . 0.0 112.139 170.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.93 -39.63 78.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.858 -0.526 . . . . 0.0 111.784 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 46' ' ' LEU . 6.1 mt -53.81 -52.07 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.483 1.513 . . . . 0.0 110.555 175.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -47.96 78.54 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.623 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.08 -37.9 62.07 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.232 1.013 . . . . 0.0 113.4 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -37.7 77.34 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.479 1.111 . . . . 0.0 112.453 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.405 HG12 HD11 ' B' ' 65' ' ' ILE . 11.5 mm -68.05 -43.28 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.785 1.234 . . . . 0.0 111.055 170.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.73 -37.14 81.8 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.358 -0.839 . . . . 0.0 110.187 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.14 -39.32 92.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.328 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.34 83.84 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 72' ' ' ILE . 28.2 mt -67.79 -25.63 65.69 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.112 1.365 . . . . 0.0 113.071 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -64.79 -21.61 66.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 169.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -152.88 48.03 0.72 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.469 1.108 . . . . 0.0 113.456 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.636 HD11 HD23 ' A' ' 69' ' ' LEU . 44.7 mt -48.55 -37.75 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.185 1.394 . . . . 0.0 113.47 176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 126.824 2.05 . . . . 0.0 110.818 177.786 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -87.79 165.55 15.25 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.124 0.97 . . . . 0.0 111.596 173.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.29 129.3 44.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.305 1.442 . . . . 0.0 110.318 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 79.7 t -133.93 91.98 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.073 1.749 . . . . 0.0 109.315 -172.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 22.2 t -98.51 133.79 42.38 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.01 0.924 . . . . 0.0 111.497 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.07 162.52 28.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.677 1.991 . . . . 0.0 110.434 -173.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -133.63 77.56 1.73 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.95 1.7 . . . . 0.0 109.812 -169.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -76.87 -175.55 3.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.736 1.614 . . . . 0.0 112.449 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -127.97 169.29 14.16 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.194 0.998 . . . . 0.0 111.876 163.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -50.18 -41.92 50.19 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 112.838 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.87 -53.91 53.06 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.626 1.17 . . . . 0.0 113.289 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.48 -42.16 98.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.074 0.549 . . . . 0.0 111.535 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.72 -44.55 66.64 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.997 0.519 . . . . 0.0 112.337 -178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -35.63 77.21 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.4 -0.813 . . . . 0.0 112.387 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -66.23 -38.24 87.42 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 174.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.465 HD13 HG12 ' B' ' 61' ' ' ILE . 0.4 OUTLIER -68.86 -38.29 79.64 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.75 -39.63 92.29 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.682 1.193 . . . . 0.0 113.026 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.58 -34.28 77.88 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.597 0.759 . . . . 0.0 111.758 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.81 72.1 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.045 0.938 . . . . 0.0 112.477 168.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -60.85 -29.13 69.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.63 -20.83 35.81 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.43 1.092 . . . . 0.0 113.823 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -65.64 -38.57 89.74 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.103 1.361 . . . . 0.0 113.007 170.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -80.52 -15.0 57.77 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 125.677 1.591 . . . . 0.0 113.278 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 93.88 36.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 129.55 3.14 . . . . 0.0 112.154 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 77.05 112.44 0.07 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 130.567 3.547 . . . . 0.0 113.512 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.511 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 81.8 p -153.47 25.37 0.52 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.747 2.019 . . . . 0.0 111.262 -172.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -53.04 120.48 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.163 -0.961 . . . . 0.0 111.416 -175.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.21 -54.56 0.63 Allowed Glycine 0 N--CA 1.474 1.201 0 C-N-CA 125.19 1.376 . . . . 0.0 111.239 -168.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.2 m -74.61 -40.56 61.47 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.538 -0.978 . . . . 0.0 111.746 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.81 -35.17 75.81 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.465 HG12 HD13 ' B' ' 46' ' ' LEU . 33.7 mt -55.43 -55.18 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.058 1.343 . . . . 0.0 109.611 171.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -61.99 -47.14 86.14 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.21 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -50.27 -43.19 53.26 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.256 0.935 . . . . 0.0 111.652 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.46 -38.52 65.43 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.405 HD11 HG12 ' A' ' 65' ' ' ILE . 25.4 mm -62.12 -48.91 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.249 1.42 . . . . 0.0 109.852 169.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.69 74.91 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.604 1.162 . . . . 0.0 110.408 -173.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -64.89 -45.99 83.61 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.567 1.147 . . . . 0.0 111.563 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.86 69.05 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.2 -23.62 66.47 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.803 1.641 . . . . 0.0 113.815 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.68 -21.52 65.8 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -154.63 35.8 0.41 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.545 1.138 . . . . 0.0 113.772 -164.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 28.4 mt -46.42 -45.5 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.069 1.347 . . . . 0.0 113.567 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.249 1.061 0 C-N-CA 126.394 1.878 . . . . 0.0 110.783 179.091 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.871 0.367 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -91.69 86.18 5.89 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.331 1.452 . . . . 0.0 111.155 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.32 141.54 50.78 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -139.88 97.06 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.391 2.276 . . . . 0.0 108.748 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t -118.78 117.18 28.21 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.905 1.282 . . . . 0.0 110.819 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.77 165.26 26.34 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.016 1.327 . . . . 0.0 112.461 -167.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -124.39 86.52 2.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.545 1.538 . . . . 0.0 110.967 -168.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -72.66 169.94 15.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.639 1.576 . . . . 0.0 111.445 172.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -116.65 160.33 20.87 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.953 0.901 . . . . 0.0 111.141 173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -44.14 -54.43 5.6 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.121 1.369 . . . . 0.0 113.685 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.94 -48.22 82.61 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.487 1.115 . . . . 0.0 113.249 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -61.96 -42.81 99.54 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.091 0.956 . . . . 0.0 111.233 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.83 -43.1 76.22 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 122.03 0.919 . . . . 0.0 112.736 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -34.79 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 112.26 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -64.19 -39.44 93.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.481 1.037 . . . . 0.0 113.038 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.23 -41.12 97.14 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.625 1.102 . . . . 0.0 112.435 170.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.16 -37.51 85.5 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.645 1.178 . . . . 0.0 112.734 173.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -37.08 85.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.342 0.657 . . . . 0.0 112.221 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 50.7 mtm -72.57 -43.78 62.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.791 0.836 . . . . 0.0 111.794 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.29 96.31 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.944 0.898 . . . . 0.0 112.949 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -62.67 -28.52 69.98 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.075 -1.016 . . . . 0.0 113.468 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -69.65 -19.39 63.61 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.645 1.578 . . . . 0.0 113.371 173.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -110.25 0.65 18.2 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.755 2.022 . . . . 0.0 112.76 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 84.46 47.23 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 128.854 2.862 . . . . 0.0 113.756 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 76.93 120.28 0.05 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 130.037 3.335 . . . . 0.0 114.031 176.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 t -163.72 16.33 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.973 1.709 . . . . 0.0 111.019 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -60.46 131.44 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 120.31 -1.494 . . . . 0.0 111.093 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.51 -57.86 0.74 Allowed Glycine 0 N--CA 1.469 0.867 0 C-N-CA 125.443 1.497 . . . . 0.0 109.946 -168.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -67.41 -35.6 79.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.292 -1.122 . . . . 0.0 111.981 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.77 -37.56 79.41 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.912 0.885 . . . . 0.0 112.663 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.32 -55.53 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.783 0.833 . . . . 0.0 109.445 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -60.46 -47.07 87.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.67 -41.56 70.33 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.61 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.78 -41.1 79.26 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.366 1.079 . . . . 0.0 112.321 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.53 -41.74 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.285 1.434 . . . . 0.0 110.282 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.86 -36.17 75.31 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.45 0.7 . . . . 0.0 110.669 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -62.88 -41.69 99.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.208 1.003 . . . . 0.0 111.934 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.45 85.45 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.94 0.896 . . . . 0.0 113.118 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.94 -26.02 68.4 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.885 1.274 . . . . 0.0 113.25 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -58.62 -30.1 66.99 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.415 1.086 . . . . 0.0 113.629 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -160.01 50.78 0.31 Allowed 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -174.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -48.86 -39.67 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.822 1.249 . . . . 0.0 113.541 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--O 1.249 1.075 0 C-N-CA 126.564 1.946 . . . . 0.0 110.9 -177.83 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -105.34 172.29 6.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.658 1.183 . . . . 0.0 111.112 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.97 132.61 36.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.106 . . . . 0.0 111.673 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 96.4 t -128.44 99.27 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.92 2.088 . . . . 0.0 108.168 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -117.53 122.2 43.05 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.014 1.325 . . . . 0.0 111.594 -175.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 81.2 mt -142.76 171.41 14.1 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.346 1.859 . . . . 0.0 112.065 -164.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -136.49 95.39 3.15 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 126.394 1.878 . . . . 0.0 108.913 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -77.82 177.28 8.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.251 1.421 . . . . 0.0 110.738 175.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -125.25 162.39 24.82 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.325 0.65 . . . . 0.0 111.249 164.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.67 -31.28 69.4 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -162.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.94 -49.91 72.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.506 1.122 . . . . 0.0 112.873 171.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.03 -42.56 85.57 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.028 1.731 . . . . 0.0 111.46 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -70.44 -43.35 70.05 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.565 0.746 . . . . 0.0 112.649 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.08 -39.6 93.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.619 1.168 . . . . 0.0 113.103 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -65.27 -34.22 77.83 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.491 -0.755 . . . . 0.0 111.605 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.544 HD13 HG12 ' B' ' 61' ' ' ILE . 0.8 OUTLIER -75.17 -33.44 61.46 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 173.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.32 -41.02 90.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.859 1.264 . . . . 0.0 113.026 171.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.98 -27.52 63.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.219 0.608 . . . . 0.0 112.455 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 13.4 mtm -70.06 -46.26 65.34 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.987 0.915 . . . . 0.0 112.405 163.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.88 -28.43 67.54 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -56.24 -27.14 53.95 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 169.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -71.17 -29.79 65.63 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.935 1.294 . . . . 0.0 113.375 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -89.67 -0.41 57.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.075 2.15 . . . . 0.0 112.9 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 72.33 47.29 0.28 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 127.734 2.414 . . . . 0.0 112.732 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 64.36 113.4 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 129.855 3.262 . . . . 0.0 114.645 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.511 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 41.8 m -154.34 28.21 0.45 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.011 2.125 . . . . 0.0 110.759 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -55.98 132.84 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 120.501 -1.375 . . . . 0.0 111.751 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.86 -46.22 1.63 Allowed Glycine 0 N--CA 1.475 1.261 0 C-N-CA 125.332 1.444 . . . . 0.0 112.023 -173.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -70.39 -39.83 74.3 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.366 -1.079 . . . . 0.0 111.068 166.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.53 -38.04 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.271 -0.893 . . . . 0.0 112.783 174.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.544 HG12 HD13 ' B' ' 46' ' ' LEU . 41.8 mt -56.1 -51.77 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.456 1.103 . . . . 0.0 110.395 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -61.91 -50.99 69.96 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.846 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -54.69 -38.67 67.28 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.754 1.221 . . . . 0.0 112.596 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.36 -44.85 90.12 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.561 1.172 . . . . 0.0 112.241 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 20.6 mm -66.47 -44.09 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 125.798 1.639 . . . . 0.0 110.473 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -29.8 65.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.64 0.776 . . . . 0.0 111.044 -176.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.41 -45.36 66.08 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.958 1.303 . . . . 0.0 111.965 169.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.22 72.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.634 0.774 . . . . 0.0 112.795 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.28 -19.51 65.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.492 1.517 . . . . 0.0 113.985 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.61 -34.24 77.8 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.061 0.944 . . . . 0.0 112.449 171.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -151.94 73.75 1.07 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.951 2.1 . . . . 0.0 111.974 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.0 mm -49.67 -40.67 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 121.114 -0.991 . . . . 0.0 112.982 170.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 126.595 1.958 . . . . 0.0 112.496 177.531 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.27 80.56 2.38 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.159 1.784 . . . . 0.0 110.669 178.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.09 119.66 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.438 2.295 . . . . 0.0 110.844 166.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 98.89 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.47 1.908 . . . . 0.0 109.394 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -108.57 123.12 48.43 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.42 1.888 . . . . 0.0 112.527 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.36 168.09 12.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.405 1.882 . . . . 0.0 112.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -122.67 77.48 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.947 2.099 . . . . 0.0 110.098 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.11 168.38 12.2 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.187 1.795 . . . . 0.0 111.44 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -117.77 167.98 10.88 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.288 1.035 . . . . 0.0 111.297 171.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.94 -41.75 75.1 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -165.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -61.96 -52.99 61.8 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.958 1.253 . . . . 0.0 112.824 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -53.76 -47.63 70.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.39 1.476 . . . . 0.0 110.808 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -60.75 -49.04 79.09 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.307 . . . . 0.0 111.816 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -63.71 -43.43 96.59 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 125.04 1.336 . . . . 0.0 112.407 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -44.19 91.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.303 1.041 . . . . 0.0 111.404 173.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.05 -43.52 95.28 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.863 0.756 . . . . 0.0 112.568 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.71 -38.4 90.32 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.531 -0.731 . . . . 0.0 112.73 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -68.57 -33.49 74.16 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.193 1.397 . . . . 0.0 112.247 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 29.6 mtm -67.02 -50.37 62.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.916 0.887 . . . . 0.0 110.73 167.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.18 69.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.871 1.269 . . . . 0.0 113.991 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -56.23 -28.38 58.22 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.195 1.398 . . . . 0.0 112.709 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -70.03 -31.74 69.53 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.412 1.085 . . . . 0.0 112.588 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.43 0.59 57.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.917 2.087 . . . . 0.0 112.909 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 77.83 50.79 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.407 2.683 . . . . 0.0 112.685 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 55.42 82.39 0.1 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 129.471 3.108 . . . . 0.0 114.547 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 76.0 p -118.19 25.09 10.56 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 128.224 2.609 . . . . 0.0 112.234 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -44.84 -51.85 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 126.165 1.786 . . . . 0.0 114.689 -155.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -59.02 -37.73 91.98 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.0 1.286 . . . . 0.0 113.756 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.3 m -75.69 -37.08 59.83 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 125.239 1.416 . . . . 0.0 111.995 171.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -60.48 -41.99 95.34 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.205 0.911 . . . . 0.0 111.789 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.494 HD13 HG13 ' B' ' 34' ' ' VAL . 39.4 mt -51.61 -57.58 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.402 1.481 . . . . 0.0 109.979 171.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.98 -44.72 96.96 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.999 0.919 . . . . 0.0 111.463 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -55.73 -39.5 71.19 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.46 1.904 . . . . 0.0 111.951 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.69 -40.87 79.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.414 1.006 . . . . 0.0 112.828 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.07 -42.45 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.201 1.4 . . . . 0.0 110.215 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.39 -36.03 73.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.793 0.837 . . . . 0.0 111.051 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.51 -43.93 93.25 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.511 1.524 . . . . 0.0 111.292 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.73 88.38 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.6 -28.13 69.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.576 1.551 . . . . 0.0 112.869 -173.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -54.77 -36.06 64.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.945 1.298 . . . . 0.0 112.779 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -155.94 75.45 0.9 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.492 1.517 . . . . 0.0 112.64 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.54 -36.73 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.433 1.093 . . . . 0.0 113.458 172.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.858 1.663 . . . . 0.0 111.796 -179.153 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 121.398 0.618 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -120.49 170.09 9.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.401 2.281 . . . . 0.0 111.04 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.16 115.86 21.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.212 1.405 . . . . 0.0 110.529 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.494 HG13 HD13 ' A' ' 61' ' ' ILE . 92.9 t -127.83 89.74 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.597 1.559 . . . . 0.0 109.638 -173.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -117.89 128.86 55.23 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.099 0.96 . . . . 0.0 113.489 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.45 172.19 13.36 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.402 1.481 . . . . 0.0 113.064 -174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -130.36 83.48 2.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.372 1.869 . . . . 0.0 110.019 -161.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -77.8 -177.81 5.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.612 1.965 . . . . 0.0 111.833 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -129.11 173.71 10.22 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.604 1.161 . . . . 0.0 111.139 164.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -56.08 -35.63 67.21 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.722 1.209 . . . . 0.0 113.45 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.31 -50.67 69.14 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.895 -1.128 . . . . 0.0 112.564 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.81 -47.32 86.86 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.041 1.736 . . . . 0.0 111.235 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -67.81 -38.2 82.98 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.753 -0.592 . . . . 0.0 112.406 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -65.07 -39.36 93.11 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.919 0.888 . . . . 0.0 111.765 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -43.59 95.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.228 0.611 . . . . 0.0 112.003 172.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.1 -47.39 86.51 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.461 0.704 . . . . 0.0 112.578 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.83 -40.18 83.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.798 0.839 . . . . 0.0 112.811 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -62.77 -36.14 82.1 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.151 0.98 . . . . 0.0 112.187 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 47.8 mtm -74.96 -42.06 58.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.593 1.557 . . . . 0.0 112.522 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.56 60.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.932 1.693 . . . . 0.0 114.359 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.39 -23.05 56.02 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.824 1.193 . . . . 0.0 113.038 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -70.76 -35.3 72.56 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.054 -1.029 . . . . 0.0 112.867 170.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -75.83 -1.7 26.5 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.777 1.631 . . . . 0.0 113.065 166.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 69.34 40.39 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.341 2.256 . . . . 0.0 111.941 -175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 65.1 115.95 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 130.606 3.562 . . . . 0.0 114.965 -174.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 39.7 t -144.38 -55.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.158 1.383 . . . . 0.0 110.239 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 t 68.46 141.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 129.432 3.093 . . . . 0.0 112.786 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.06 -39.75 2.07 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.636 1.589 . . . . 0.0 112.216 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.9 t -59.78 -40.76 89.34 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.499 -1.001 . . . . 0.0 111.321 171.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.41 -39.83 76.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.468 1.107 . . . . 0.0 112.508 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -52.88 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.306 1.443 . . . . 0.0 109.47 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -62.07 -50.32 72.45 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.285 0.634 . . . . 0.0 110.215 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -51.9 -42.85 63.04 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.903 1.681 . . . . 0.0 111.925 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -67.88 -44.89 75.97 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.204 1.002 . . . . 0.0 112.776 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.3 -39.24 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 126.106 1.762 . . . . 0.0 110.133 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.49 -32.97 64.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.309 1.043 . . . . 0.0 110.757 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -64.26 -48.19 76.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.116 1.366 . . . . 0.0 111.675 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.15 70.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.685 1.194 . . . . 0.0 112.846 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -27.62 68.82 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -57.31 -20.23 27.19 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.018 1.727 . . . . 0.0 114.037 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -115.66 -26.08 7.59 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.29 1.836 . . . . 0.0 113.775 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 25.7 mm -73.11 -34.7 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.524 1.53 . . . . 0.0 112.887 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.752 1.621 . . . . 0.0 113.423 173.132 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.535 0.369 0 CA-C-O 121.157 0.503 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -118.17 95.77 5.04 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.922 1.689 . . . . 0.0 112.362 -174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 132.56 53.51 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.726 1.21 . . . . 0.0 111.557 170.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.6 t -142.88 103.95 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.511 1.925 . . . . 0.0 109.402 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -102.89 127.33 50.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 125.121 1.369 . . . . 0.0 112.062 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.9 164.49 22.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.029 2.132 . . . . 0.0 111.396 -168.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.83 81.86 1.99 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.28 1.432 . . . . 0.0 110.297 -166.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -82.52 172.95 12.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.457 1.903 . . . . 0.0 112.319 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -85.59 145.9 27.14 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 121.987 -0.446 . . . . 0.0 109.824 162.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -57.36 -29.41 63.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 122.893 0.477 . . . . 0.0 111.708 171.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.54 -56.43 16.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.708 -1.245 . . . . 0.0 111.906 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -60.54 -38.36 84.23 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.897 1.279 . . . . 0.0 111.858 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -57.85 -54.26 48.94 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.762 1.225 . . . . 0.0 111.753 173.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -35.76 80.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.959 0.903 . . . . 0.0 112.943 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -60.81 -42.18 97.16 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.524 -0.735 . . . . 0.0 111.473 171.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.482 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -67.11 -31.04 71.24 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 170.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.35 -40.02 93.07 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.734 -1.229 . . . . 0.0 112.467 169.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -64.53 -35.48 81.09 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.813 0.845 . . . . 0.0 112.541 176.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 67.9 mtp -65.72 -48.94 70.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.25 1.42 . . . . 0.0 110.747 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.552 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -62.85 -32.09 73.24 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.886 1.274 . . . . 0.0 114.002 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -26.47 66.35 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.634 1.106 . . . . 0.0 112.169 174.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -71.98 -25.57 61.91 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.536 1.134 . . . . 0.0 112.68 173.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -97.16 2.67 51.35 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.731 2.012 . . . . 0.0 112.081 172.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 72.5 52.5 0.17 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.331 2.652 . . . . 0.0 112.96 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 59.85 102.06 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.668 3.187 . . . . 0.0 115.262 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.552 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 79.9 p -145.9 27.1 1.21 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.623 2.369 . . . . 0.0 111.397 -173.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.38 115.01 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.788 1.235 . . . . 0.0 110.234 -172.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.64 -51.32 0.71 Allowed Glycine 0 N--CA 1.473 1.105 0 C-N-CA 125.138 1.351 . . . . 0.0 112.274 -170.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.2 m -65.22 -39.05 92.26 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.088 -1.242 . . . . 0.0 111.205 166.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.25 -39.25 94.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.839 0.855 . . . . 0.0 112.424 174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG1' HD13 ' A' ' 46' ' ' LEU . 45.0 mt -55.18 -58.07 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.583 1.153 . . . . 0.0 109.346 170.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -56.94 -50.94 71.07 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.891 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -44.9 -45.88 10.59 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.501 1.92 . . . . 0.0 111.67 174.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -40.65 74.6 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 HG12 ' B' ' 65' ' ' ILE . 24.3 mm -62.92 -44.92 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.352 1.461 . . . . 0.0 110.031 170.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -35.02 75.94 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.766 1.626 . . . . 0.0 110.55 -176.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.14 -50.57 67.67 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.01 1.724 . . . . 0.0 111.204 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.67 -25.0 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.57 -24.82 67.72 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.182 1.793 . . . . 0.0 113.244 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -54.56 -44.46 72.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.848 1.259 . . . . 0.0 111.993 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.18 80.64 1.75 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.001 2.121 . . . . 0.0 110.929 168.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.5 mt -51.07 -50.95 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.122 0.969 . . . . 0.0 111.796 167.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.462 1.905 . . . . 0.0 114.973 -178.737 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.673 0.273 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -73.5 159.69 32.81 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.103 1.361 . . . . 0.0 110.965 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.85 108.31 12.85 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.165 1.786 . . . . 0.0 110.123 -175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 44.0 t -132.06 92.02 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.021 1.328 . . . . 0.0 109.826 -167.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 9.0 t -114.88 122.3 45.88 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.818 1.247 . . . . 0.0 112.23 -170.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -111.6 163.82 13.67 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.373 1.869 . . . . 0.0 110.614 -174.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -133.23 81.73 1.95 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.558 1.543 . . . . 0.0 109.58 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -69.68 167.46 16.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.902 0.881 . . . . 0.0 111.561 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 11.5 t -117.09 92.64 3.91 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.583 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.9 t70 35.11 -67.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 1 C-N-CA 132.268 4.227 . . . . 0.0 116.691 169.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.95 -50.76 60.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.974 1.31 . . . . 0.0 111.972 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -54.49 -47.12 73.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.437 1.495 . . . . 0.0 111.773 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.93 -46.27 82.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.564 0.746 . . . . 0.0 111.738 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -65.45 -34.47 78.36 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 125.269 1.428 . . . . 0.0 113.346 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -38.31 82.7 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.866 1.267 . . . . 0.0 111.215 171.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.97 -31.14 58.87 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.71 -40.57 97.57 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 120.818 -1.176 . . . . 0.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -62.41 -34.04 75.95 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.405 1.482 . . . . 0.0 112.062 175.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mtm -71.44 -44.46 64.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.61 1.164 . . . . 0.0 112.607 167.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.41 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -57.12 -28.97 63.15 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.187 0.903 . . . . 0.0 113.254 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -56.97 -23.79 48.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.152 1.381 . . . . 0.0 113.635 171.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.24 -42.61 93.18 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.791 1.236 . . . . 0.0 112.397 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.72 -3.69 54.34 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.555 1.542 . . . . 0.0 113.276 171.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 92.6 37.63 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.834 3.254 . . . . 0.0 112.331 172.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 67.72 90.39 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.589 3.156 . . . . 0.0 112.922 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.41 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 65.6 p -142.61 44.69 1.61 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.213 2.205 . . . . 0.0 109.857 -174.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.08 142.67 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.902 0.858 . . . . 0.0 111.553 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -53.46 0.82 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.784 1.659 . . . . 0.0 110.463 -164.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -68.94 -48.73 62.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.575 -0.956 . . . . 0.0 112.461 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.76 -44.28 93.93 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.493 0.588 . . . . 0.0 111.205 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mt -52.56 -51.39 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 128.004 2.522 . . . . 0.0 110.452 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -62.47 -57.21 12.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 122.903 0.481 . . . . 0.0 110.934 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 57.1 ttt85 -49.41 -39.26 31.98 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.271 1.428 . . . . 0.0 112.912 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.16 -37.93 75.34 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 119.532 1.06 . . . . 0.0 113.238 -176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.424 HG12 HD11 ' A' ' 65' ' ' ILE . 10.3 mm -64.1 -48.84 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.678 1.191 . . . . 0.0 109.548 168.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.48 -30.52 68.43 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.296 0.498 . . . . 0.0 111.637 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -46.25 90.61 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 126.784 2.034 . . . . 0.0 111.558 168.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.47 82.75 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -17.86 64.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.782 2.033 . . . . 0.0 113.401 -174.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.6 -33.71 73.14 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.686 1.195 . . . . 0.0 113.564 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -148.27 34.43 0.8 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -160.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.3 mt -44.21 -45.48 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 126.324 1.85 . . . . 0.0 112.616 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 127.973 2.509 . . . . 0.0 111.71 173.31 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.926 0.393 . . . . 0.0 111.726 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -122.98 100.38 6.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.069 1.748 . . . . 0.0 111.196 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 125.74 24.93 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.289 1.036 . . . . 0.0 111.303 168.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.3 t -148.99 116.36 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.058 1.743 . . . . 0.0 109.941 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -132.87 143.3 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 125.475 1.51 . . . . 0.0 114.024 -170.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.41 -179.25 6.63 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 127.527 2.331 . . . . 0.0 112.786 -173.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.61 95.1 3.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.608 1.963 . . . . 0.0 109.597 -163.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.37 -166.56 0.19 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.553 1.941 . . . . 0.0 113.1 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m -139.54 160.76 39.11 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 120.996 -1.065 . . . . 0.0 110.852 155.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -49.44 -50.94 38.76 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.522 1.129 . . . . 0.0 113.376 -164.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.78 -48.75 80.43 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.038 0.935 . . . . 0.0 112.568 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.53 -39.6 94.83 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.681 1.193 . . . . 0.0 111.985 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.93 -49.21 60.02 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.354 0.662 . . . . 0.0 112.257 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -35.27 76.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.8 1.24 . . . . 0.0 112.365 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -61.63 -41.1 97.0 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.0 0.818 . . . . 0.0 111.332 171.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.13 -33.76 65.72 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.91 -41.5 95.53 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.699 1.2 . . . . 0.0 113.596 173.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -32.37 73.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.058 0.543 . . . . 0.0 112.391 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.9 mtm -76.22 -34.34 59.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.496 1.118 . . . . 0.0 113.477 170.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.42 68.27 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.22 -23.52 56.06 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -71.66 -31.5 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.386 1.474 . . . . 0.0 113.395 171.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -86.43 -4.81 59.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.416 1.887 . . . . 0.0 113.266 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 80.17 41.79 0.06 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.593 2.757 . . . . 0.0 113.423 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.35 100.35 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 129.038 2.935 . . . . 0.0 113.559 -176.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m -152.79 36.24 0.49 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.401 1.881 . . . . 0.0 112.474 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -46.53 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -166.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.08 -43.84 98.92 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-N 119.284 0.947 . . . . 0.0 112.31 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 m -68.85 -37.83 79.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.074 0.95 . . . . 0.0 111.907 175.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -45.32 93.02 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.696 0.798 . . . . 0.0 111.175 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.6 mt -56.32 -53.38 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.183 172.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -45.74 92.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 -175.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -57.73 -38.93 76.17 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 127.238 2.215 . . . . 0.0 113.038 175.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.5 -32.14 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.076 0.941 . . . . 0.0 112.734 -173.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.5 -45.33 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.584 1.153 . . . . 0.0 109.825 167.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.48 -37.67 71.29 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.245 -0.91 . . . . 0.0 110.812 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.56 -39.68 88.86 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.844 1.257 . . . . 0.0 111.696 174.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -38.19 57.14 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 72' ' ' ILE . 14.8 mt -64.65 -27.16 68.74 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.001 1.72 . . . . 0.0 113.562 -175.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.44 -22.33 54.07 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 169.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -155.86 52.37 0.57 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.076 1.35 . . . . 0.0 113.114 -172.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 69' ' ' LEU . 3.0 mt -47.5 -41.07 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 124.557 1.143 . . . . 0.0 113.289 175.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.152 0 C-N-CA 126.762 2.025 . . . . 0.0 111.732 175.246 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -79.21 116.87 19.74 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.365 1.866 . . . . 0.0 111.815 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.12 137.89 58.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.639 1.176 . . . . 0.0 111.147 166.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.9 t -138.97 116.31 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 127.879 2.472 . . . . 0.0 107.732 174.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -135.18 126.7 28.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.777 1.631 . . . . 0.0 110.921 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -136.64 169.77 17.17 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.03 1.732 . . . . 0.0 111.151 -164.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -132.27 83.54 2.09 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.127 1.371 . . . . 0.0 111.446 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -71.62 178.91 3.29 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.626 1.571 . . . . 0.0 112.455 170.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.4 m -137.23 164.81 27.64 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.702 1.201 . . . . 0.0 110.612 164.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.47 -38.78 20.88 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.06 -51.31 67.19 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.164 1.347 . . . . 0.0 112.343 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.5 -38.24 89.16 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.464 1.506 . . . . 0.0 111.771 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -64.9 -46.34 82.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.094 0.958 . . . . 0.0 111.421 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.19 -39.36 75.27 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.373 1.069 . . . . 0.0 113.381 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.416 ' HB3' HD22 ' A' ' 69' ' ' LEU . 25.1 mmtt -56.39 -39.25 72.67 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.643 0.777 . . . . 0.0 112.311 170.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.16 -41.1 62.03 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 172.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.73 -38.72 86.05 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.457 1.103 . . . . 0.0 113.22 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -68.86 -30.36 68.87 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.7 mtm -72.19 -44.0 63.67 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.467 1.107 . . . . 0.0 112.317 165.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.429 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.48 -28.48 65.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.787 1.235 . . . . 0.0 113.677 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.04 -25.73 61.57 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -69.76 -25.23 63.72 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.724 1.21 . . . . 0.0 113.725 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -101.89 2.12 37.72 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.011 2.524 . . . . 0.0 112.746 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 74.53 46.87 0.14 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.529 2.731 . . . . 0.0 113.828 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 64.73 99.48 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.739 2.816 . . . . 0.0 114.091 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.429 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 69.6 p -150.03 22.57 0.86 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.179 1.791 . . . . 0.0 113.089 -170.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 1.1 m -44.5 -44.98 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -164.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.13 -39.39 89.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.265 0.936 . . . . 0.0 113.778 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.1 m -81.58 -36.72 28.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.991 1.316 . . . . 0.0 112.529 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.23 -37.93 78.73 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.635 0.774 . . . . 0.0 112.437 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 33.3 mt -52.45 -53.4 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.263 1.425 . . . . 0.0 110.0 173.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -61.89 -49.18 77.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.981 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -39.12 62.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.919 1.288 . . . . 0.0 111.871 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.3 -40.42 67.54 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.177 -0.952 . . . . 0.0 112.755 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 25.2 mm -62.45 -42.11 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.815 1.246 . . . . 0.0 110.872 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -37.16 76.11 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.727 0.811 . . . . 0.0 109.941 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.68 -40.36 95.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.22 1.008 . . . . 0.0 112.565 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.63 97.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 111.797 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.31 -26.92 68.27 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.854 -1.154 . . . . 0.0 113.319 -174.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -63.28 -14.07 45.5 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -120.77 -19.53 7.32 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.408 1.483 . . . . 0.0 114.112 176.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.43 -36.48 77.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 124.859 1.264 . . . . 0.0 112.052 169.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.25 1.096 0 C-N-CA 126.215 1.806 . . . . 0.0 114.729 178.581 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.72 92.06 3.85 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.998 -1.064 . . . . 0.0 111.587 -174.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.13 144.7 39.45 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.99 0.916 . . . . 0.0 113.359 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.6 t -138.67 92.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.236 2.215 . . . . 0.0 108.094 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t -118.65 115.83 25.33 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.236 1.014 . . . . 0.0 111.715 -171.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.3 168.79 14.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.471 1.508 . . . . 0.0 113.157 -172.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -130.76 65.17 1.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.487 1.915 . . . . 0.0 110.88 -161.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 11.2 m-85 -65.9 164.94 13.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.24 1.816 . . . . 0.0 112.726 -178.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.4 p -87.93 160.79 17.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.58 -0.7 . . . . 0.0 111.402 165.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -51.06 -39.86 56.95 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.044 0.537 . . . . 0.0 112.01 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.91 -54.74 33.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.019 1.328 . . . . 0.0 112.677 176.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.72 -33.09 75.14 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.413 0.685 . . . . 0.0 112.593 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -66.76 -50.03 64.01 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.9 1.28 . . . . 0.0 112.165 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -58.71 -35.09 72.11 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.186 0.994 . . . . 0.0 112.724 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.72 -24.3 66.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.1 1.36 . . . . 0.0 114.123 170.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -81.79 -47.79 12.42 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 120.081 1.31 . . . . 0.0 112.914 159.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -53.53 -38.97 64.28 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.619 1.1 . . . . 0.0 113.745 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -69.98 -30.4 67.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.034 0.934 . . . . 0.0 113.096 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 51.6 mtm -80.08 -40.53 27.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.162 0.985 . . . . 0.0 112.169 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.505 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.22 -34.1 71.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.554 1.542 . . . . 0.0 113.068 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -61.94 -27.55 68.91 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.904 -1.122 . . . . 0.0 113.969 172.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.04 -26.27 61.24 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.881 1.272 . . . . 0.0 112.995 170.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.86 0.48 54.84 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.887 2.075 . . . . 0.0 112.545 169.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 69.28 44.96 0.9 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.666 2.386 . . . . 0.0 112.965 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 69.2 110.66 0.05 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.756 3.222 . . . . 0.0 113.899 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.505 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 6.8 t -153.31 29.1 0.49 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.514 1.926 . . . . 0.0 110.765 -174.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -58.36 132.32 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 120.02 -1.675 . . . . 0.0 112.461 -174.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.74 -45.06 3.43 Favored Glycine 0 N--CA 1.472 1.062 0 C-N-CA 126.129 1.823 . . . . 0.0 112.044 -174.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 m -64.74 -31.58 72.87 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.167 -1.196 . . . . 0.0 112.095 171.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.23 -40.25 81.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.587 1.155 . . . . 0.0 112.375 167.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.415 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -62.31 -50.36 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.556 1.142 . . . . 0.0 110.721 176.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -60.47 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.561 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -61.92 -30.69 71.06 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.861 -1.15 . . . . 0.0 113.373 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -43.92 80.52 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.163 1.347 . . . . 0.0 111.8 175.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.3 mm -63.15 -43.0 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.595 1.158 . . . . 0.0 110.23 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.63 -32.47 67.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.418 0.687 . . . . 0.0 110.994 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -65.04 -45.71 84.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.77 1.228 . . . . 0.0 111.607 171.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.02 -33.49 75.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.501 0.72 . . . . 0.0 112.895 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.97 69.21 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.055 1.342 . . . . 0.0 113.077 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -63.4 -21.74 66.46 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 174.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -158.59 50.47 0.39 Allowed 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.5 mm -48.36 -36.18 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.83 -1.169 . . . . 0.0 113.857 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 126.57 1.948 . . . . 0.0 110.705 176.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -82.79 175.01 10.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.431 1.092 . . . . 0.0 111.414 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.48 124.84 31.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.397 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.71 89.45 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.081 1.752 . . . . 0.0 108.541 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.7 t -112.07 119.72 39.41 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.712 1.205 . . . . 0.0 112.369 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.13 172.47 9.99 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.837 2.455 . . . . 0.0 111.053 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -136.4 82.86 1.97 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.057 1.743 . . . . 0.0 110.571 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -72.75 177.47 4.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.975 . . . . 0.0 110.741 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.1 m -126.01 173.23 9.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.658 0.783 . . . . 0.0 110.961 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -53.7 -38.11 63.94 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -165.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.4 -53.19 56.34 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.112 0.965 . . . . 0.0 112.899 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -57.72 -45.72 85.37 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.073 1.349 . . . . 0.0 111.229 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.57 -38.15 74.07 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.579 -0.7 . . . . 0.0 112.529 -178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -67.28 -41.13 85.96 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.808 0.843 . . . . 0.0 112.263 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -58.29 -43.69 88.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.779 0.718 . . . . 0.0 111.563 172.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.426 HD12 HG13 ' B' ' 61' ' ' ILE . 2.0 mm? -66.95 -37.74 84.83 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.99 -39.74 95.66 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.967 0.907 . . . . 0.0 113.249 171.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.05 -36.01 82.98 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.019 0.928 . . . . 0.0 111.977 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 48.6 mtp -73.06 -41.0 64.61 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.639 1.576 . . . . 0.0 112.143 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . . . -65.99 -15.42 63.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.046 1.738 . . . . 0.0 115.015 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.49 -21.88 18.51 Favored 'General case' 0 CA--C 1.556 1.196 0 O-C-N 121.107 -0.996 . . . . 0.0 113.385 166.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.21 -39.74 94.62 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.179 0.992 . . . . 0.0 113.081 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.8 3.49 54.26 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 128.154 2.581 . . . . 0.0 113.203 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 73.48 39.12 0.6 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.716 2.406 . . . . 0.0 113.22 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 62.11 131.09 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.163 3.385 . . . . 0.0 115.705 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 87.3 p -167.27 -32.32 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.373 1.869 . . . . 0.0 112.593 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t 55.9 -67.46 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 130.768 3.627 . . . . 0.0 115.678 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.15 -39.09 97.2 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.989 1.268 . . . . 0.0 112.148 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -66.45 -36.78 83.63 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.689 -0.889 . . . . 0.0 111.71 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' B' ' 50' ' ' ALA . 4.6 t80 -65.67 -41.1 92.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.431 -0.793 . . . . 0.0 112.305 173.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.426 HG13 HD12 ' B' ' 46' ' ' LEU . 73.4 mt -55.26 -49.47 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.864 0.866 . . . . 0.0 109.016 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.07 -49.85 72.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.077 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -60.1 -35.91 76.27 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.272 -0.892 . . . . 0.0 112.62 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -68.35 -43.38 77.6 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.621 1.201 . . . . 0.0 112.587 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.84 -42.3 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 125.176 1.39 . . . . 0.0 110.524 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mp -70.81 -32.26 69.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.352 0.661 . . . . 0.0 110.887 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.9 -45.39 82.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.06 0.944 . . . . 0.0 112.045 170.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.44 77.83 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.523 0.729 . . . . 0.0 112.677 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -19.86 66.07 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.274 1.829 . . . . 0.0 114.009 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -61.88 -26.47 68.17 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 170.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -157.27 49.24 0.44 Allowed 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -170.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 19.4 mt -51.33 -44.02 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 O-C-N 120.827 -1.171 . . . . 0.0 113.789 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.25 1.108 0 C-N-CA 126.195 1.798 . . . . 0.0 114.965 -176.181 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.28 85.33 4.6 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.82 1.248 . . . . 0.0 111.21 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.17 129.8 41.04 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.938 1.695 . . . . 0.0 111.936 174.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.1 t -144.53 104.87 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.746 . . . . 0.0 110.651 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -109.89 129.92 55.59 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.893 1.277 . . . . 0.0 113.781 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.08 171.1 11.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.235 2.214 . . . . 0.0 112.554 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -132.38 78.21 1.79 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.333 1.853 . . . . 0.0 110.488 -166.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -73.36 169.3 17.42 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.822 2.049 . . . . 0.0 111.886 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.7 p -90.42 165.54 13.77 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.425 -0.797 . . . . 0.0 111.959 169.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -54.69 -44.53 73.47 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.996 0.518 . . . . 0.0 111.308 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -51.86 65.53 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.203 1.001 . . . . 0.0 111.473 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -58.28 -40.12 81.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.237 1.415 . . . . 0.0 112.258 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -66.67 -53.05 38.02 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.277 1.831 . . . . 0.0 111.582 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.96 -36.86 78.02 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.139 1.376 . . . . 0.0 112.892 -177.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -39.24 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.911 0.885 . . . . 0.0 111.771 171.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -75.05 -38.65 61.31 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 172.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.66 -42.33 92.58 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.237 -0.914 . . . . 0.0 112.567 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -64.02 -35.83 82.0 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.97 1.308 . . . . 0.0 112.349 177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.6 mtm -68.13 -45.28 74.05 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.825 1.25 . . . . 0.0 111.643 170.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -61.19 -26.44 67.72 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.736 1.215 . . . . 0.0 113.952 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.16 -26.68 66.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.683 1.129 . . . . 0.0 113.383 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -72.08 -30.57 65.24 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.114 -0.991 . . . . 0.0 112.68 171.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.49 -0.27 36.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.354 1.862 . . . . 0.0 113.066 166.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 68.68 44.45 1.17 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.395 2.278 . . . . 0.0 112.364 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 71.3 109.04 0.06 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 130.224 3.41 . . . . 0.0 114.129 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.486 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 3.7 t -155.11 23.53 0.43 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.53 1.532 . . . . 0.0 112.138 -169.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.35 128.76 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 120.276 -1.515 . . . . 0.0 110.413 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.75 -39.72 2.7 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.661 1.124 . . . . 0.0 113.334 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.7 m -75.76 -43.09 48.32 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.65 -0.912 . . . . 0.0 110.967 165.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.66 -43.8 69.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.187 1.395 . . . . 0.0 111.957 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' HD13 ' A' ' 46' ' ' LEU . 28.5 mt -47.87 -59.37 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.798 1.639 . . . . 0.0 110.175 171.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -60.04 -50.71 72.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.181 -176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -48.67 -46.23 40.0 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.192 0.905 . . . . 0.0 111.671 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -68.64 -41.17 79.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 112.496 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.428 HD11 HG13 ' B' ' 65' ' ' ILE . 17.2 mm -69.18 -38.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.678 1.591 . . . . 0.0 111.359 176.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -35.34 71.9 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.361 1.065 . . . . 0.0 110.361 177.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.93 -41.58 91.19 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.521 1.528 . . . . 0.0 112.348 171.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.08 94.44 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 112.429 172.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -25.4 68.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.144 1.377 . . . . 0.0 112.991 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -57.42 -33.94 68.42 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.963 1.305 . . . . 0.0 112.972 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -156.59 67.09 0.56 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.409 1.884 . . . . 0.0 113.078 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.7 mm -52.76 -40.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 124.584 1.154 . . . . 0.0 112.759 170.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.078 1.751 . . . . 0.0 113.96 179.034 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.91 0.386 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -83.26 171.51 13.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.583 1.553 . . . . 0.0 111.339 175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.74 17.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.839 1.656 . . . . 0.0 109.92 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 70.6 t -127.23 90.17 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 126.221 1.808 . . . . 0.0 108.622 -173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 21.5 t -109.8 120.84 43.72 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.089 1.356 . . . . 0.0 111.407 -170.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -118.9 159.25 24.13 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.324 1.85 . . . . 0.0 110.29 -168.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -137.43 87.99 2.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.186 1.394 . . . . 0.0 109.89 -177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -79.54 171.61 14.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.537 1.535 . . . . 0.0 112.176 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -122.88 172.16 8.68 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.135 1.374 . . . . 0.0 111.061 164.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -48.72 -52.9 21.16 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.225 1.41 . . . . 0.0 113.717 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.79 -54.79 40.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.213 1.005 . . . . 0.0 112.802 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.9 -44.1 82.02 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.215 1.406 . . . . 0.0 112.057 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.82 -43.3 72.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.051 0.541 . . . . 0.0 111.929 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.033 1.333 . . . . 0.0 111.749 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -61.54 -46.94 87.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.119 0.872 . . . . 0.0 111.126 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.424 HD13 HG12 ' B' ' 61' ' ' ILE . 1.8 mt -70.81 -24.82 62.63 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -43.33 73.44 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.044 1.338 . . . . 0.0 113.273 168.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.51 -34.97 76.41 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.647 -0.658 . . . . 0.0 112.214 174.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 67.8 mtp -70.7 -43.87 68.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.804 1.642 . . . . 0.0 112.213 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -26.59 66.74 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.452 1.101 . . . . 0.0 113.783 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.06 -25.39 61.17 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.915 0.886 . . . . 0.0 113.054 171.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.06 -27.34 63.56 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.078 0.951 . . . . 0.0 113.303 174.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -95.82 1.53 53.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.514 1.926 . . . . 0.0 112.624 169.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 76.85 50.49 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 128.664 2.785 . . . . 0.0 112.706 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 57.97 82.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.465 2.706 . . . . 0.0 114.099 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.5 t -138.38 62.1 1.57 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.566 1.946 . . . . 0.0 109.341 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -48.11 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.344 1.458 . . . . 0.0 113.938 -167.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.22 -42.42 98.67 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 123.933 0.778 . . . . 0.0 111.766 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.77 -42.23 91.07 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.782 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.59 -41.25 93.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.659 1.118 . . . . 0.0 111.689 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.424 HG12 HD13 ' B' ' 46' ' ' LEU . 33.6 mt -54.87 -49.0 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.206 1.802 . . . . 0.0 109.329 173.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -57.94 -62.12 2.04 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 123.277 0.361 . . . . 0.0 110.704 172.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.81 -33.91 37.78 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.753 2.421 . . . . 0.0 112.605 -173.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -68.0 -41.63 81.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.428 HG13 HD11 ' A' ' 65' ' ' ILE . 69.1 mt -58.98 -41.98 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.15 1.38 . . . . 0.0 108.946 171.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -71.0 -37.46 72.67 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.602 -0.686 . . . . 0.0 111.249 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.04 -41.62 98.31 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.591 1.956 . . . . 0.0 111.862 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.23 81.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.037 0.935 . . . . 0.0 111.298 172.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.91 -33.16 71.5 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.073 1.349 . . . . 0.0 112.053 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -18.96 25.17 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.897 2.479 . . . . 0.0 115.507 170.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -111.08 -36.05 5.74 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.118 2.167 . . . . 0.0 112.859 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 62.9 mt -56.94 -40.15 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 126.698 1.999 . . . . 0.0 112.189 177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.948 1.299 . . . . 0.0 112.895 172.731 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.47 74.22 6.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.684 1.594 . . . . 0.0 109.885 174.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 123.56 19.88 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.742 2.817 . . . . 0.0 112.164 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.82 99.87 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 126.831 2.052 . . . . 0.0 109.201 -173.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.1 t -108.83 114.2 27.78 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.138 1.375 . . . . 0.0 111.404 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.8 172.06 7.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.489 1.516 . . . . 0.0 112.538 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.79 75.27 1.59 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.692 2.397 . . . . 0.0 108.836 -170.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -73.56 177.35 5.41 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.933 1.693 . . . . 0.0 109.953 172.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.2 t -131.56 170.4 14.78 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.043 0.937 . . . . 0.0 111.584 176.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.45 -53.61 22.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.608 1.563 . . . . 0.0 113.458 -167.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.27 -49.23 76.71 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.204 0.911 . . . . 0.0 112.26 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -58.12 -45.83 86.61 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.248 1.419 . . . . 0.0 111.443 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.71 -44.36 74.08 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.332 1.453 . . . . 0.0 112.903 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -36.86 85.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 111.091 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -56.72 -50.11 73.15 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.42 0.688 . . . . 0.0 111.591 167.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD11 HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -60.06 -42.46 94.55 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.021 0.928 . . . . 0.0 113.077 176.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.62 -38.36 90.83 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 173.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -40.19 94.67 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.504 -0.747 . . . . 0.0 111.466 175.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 49.4 mtp -68.26 -41.17 81.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.532 1.933 . . . . 0.0 111.92 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -55.87 -33.35 64.49 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.02 1.728 . . . . 0.0 113.859 -178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.75 -22.97 67.1 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -13.73 60.68 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.263 1.425 . . . . 0.0 113.094 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.67 4.83 13.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.244 1.818 . . . . 0.0 111.859 171.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 66.74 62.36 0.51 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.508 2.723 . . . . 0.0 113.062 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 68.1 98.25 0.06 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.447 2.699 . . . . 0.0 114.773 171.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.504 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 18.2 p -154.36 30.15 0.44 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.878 2.071 . . . . 0.0 111.927 -170.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.64 124.85 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 O-C-N 120.624 -1.298 . . . . 0.0 111.818 -169.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.37 -45.52 2.22 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.603 1.573 . . . . 0.0 111.998 -175.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.0 m -63.51 -34.72 78.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.345 -1.091 . . . . 0.0 111.36 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.31 -40.52 90.87 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.268 1.027 . . . . 0.0 112.16 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.52 HG13 HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.47 -55.26 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 124.986 1.314 . . . . 0.0 107.822 171.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.13 -53.96 52.45 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -174.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.0 tpt85 -50.03 -39.48 41.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.824 2.45 . . . . 0.0 112.712 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -37.8 82.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.347 1.059 . . . . 0.0 113.065 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.421 HG13 HD11 ' B' ' 65' ' ' ILE . 75.0 mt -63.62 -41.22 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.486 1.515 . . . . 0.0 109.015 172.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.07 -38.61 75.8 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.306 0.642 . . . . 0.0 110.633 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -61.76 -48.29 81.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 125.979 1.712 . . . . 0.0 111.164 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.85 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.301 1.041 . . . . 0.0 113.224 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -26.13 68.07 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.804 1.642 . . . . 0.0 113.178 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -56.51 -41.61 76.98 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.678 1.191 . . . . 0.0 112.526 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -141.57 79.0 1.66 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.92 2.088 . . . . 0.0 111.286 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.4 mt -51.42 -40.66 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.173 0.989 . . . . 0.0 112.533 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 128.175 2.59 . . . . 0.0 114.799 177.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 121.025 0.44 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -94.57 99.23 11.41 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.526 1.531 . . . . 0.0 112.336 -175.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.82 124.45 20.77 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.502 1.521 . . . . 0.0 111.014 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 58.6 t -127.99 95.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.947 2.099 . . . . 0.0 109.126 176.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 24.5 t -115.34 123.6 49.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.068 1.347 . . . . 0.0 113.142 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.7 mt -142.5 165.34 27.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.705 1.602 . . . . 0.0 112.022 -162.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -129.18 97.41 4.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.861 2.065 . . . . 0.0 109.284 -173.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -72.26 -179.55 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.216 1.406 . . . . 0.0 112.121 170.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.5 m -116.72 166.74 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.701 0.8 . . . . 0.0 111.374 162.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.47 -49.92 66.4 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.143 0.977 . . . . 0.0 112.871 -165.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.56 -52.29 66.29 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.799 1.24 . . . . 0.0 112.232 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.14 -43.27 82.28 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.405 1.482 . . . . 0.0 111.661 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -67.44 -43.05 82.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.017 0.527 . . . . 0.0 112.117 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.44 -33.98 76.27 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.787 1.235 . . . . 0.0 113.163 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -42.31 99.66 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.634 1.174 . . . . 0.0 110.528 171.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -39.26 92.69 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 172.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.21 -40.99 97.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.409 -0.807 . . . . 0.0 113.018 171.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.35 -37.65 86.49 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.634 1.174 . . . . 0.0 111.954 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 23.6 mtm -67.77 -48.94 64.97 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.409 1.484 . . . . 0.0 111.765 169.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.6 -28.64 68.67 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 124.62 1.168 . . . . 0.0 113.542 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -27.14 66.08 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.531 1.06 . . . . 0.0 112.262 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -70.2 -32.36 70.23 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.488 1.115 . . . . 0.0 112.002 172.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -85.66 0.48 52.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.984 1.714 . . . . 0.0 112.485 170.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 74.15 48.4 0.13 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.671 2.788 . . . . 0.0 112.73 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 58.39 84.46 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 128.729 2.812 . . . . 0.0 114.104 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.8 m -141.32 43.49 1.77 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.474 2.31 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -46.59 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -168.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.0 98.13 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 123.858 0.742 . . . . 0.0 112.688 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 66.9 m -68.95 -38.9 79.72 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.642 -0.916 . . . . 0.0 111.626 173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.84 -42.4 97.7 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.08 0.552 . . . . 0.0 111.68 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 mt -52.52 -52.94 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.534 1.534 . . . . 0.0 109.914 175.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -54.47 43.9 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.396 0.678 . . . . 0.0 110.886 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.33 -38.5 66.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.102 1.761 . . . . 0.0 113.069 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.0 -42.31 85.21 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.702 1.201 . . . . 0.0 111.973 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.421 HD11 HG13 ' A' ' 65' ' ' ILE . 23.3 mm -64.37 -47.55 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.266 1.826 . . . . 0.0 110.48 172.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -32.08 69.37 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.315 0.646 . . . . 0.0 110.563 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.5 -45.4 90.9 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.405 1.482 . . . . 0.0 111.905 169.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.89 82.42 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 172.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.51 -35.54 81.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.447 1.099 . . . . 0.0 111.687 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -59.47 -21.12 59.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.485 1.514 . . . . 0.0 114.466 170.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -101.76 -33.84 9.68 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.567 1.947 . . . . 0.0 112.894 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -63.71 -46.95 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.068 1.747 . . . . 0.0 110.935 173.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.65 1.58 . . . . 0.0 113.544 174.318 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -68.93 81.55 0.3 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.183 1.393 . . . . 0.0 111.35 170.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.11 123.53 15.58 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.398 1.079 . . . . 0.0 110.196 159.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.5 t -142.81 106.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.376 1.871 . . . . 0.0 109.092 -165.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -116.1 139.48 50.26 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.918 1.687 . . . . 0.0 112.566 -173.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -137.85 169.8 17.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.008 2.123 . . . . 0.0 111.703 -171.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -126.05 81.75 2.02 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.848 1.659 . . . . 0.0 111.001 -171.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -79.62 -178.97 6.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.102 2.161 . . . . 0.0 112.464 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 m -143.41 167.43 22.21 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.095 1.358 . . . . 0.0 110.71 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.06 -57.13 6.22 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.405 1.482 . . . . 0.0 113.112 -161.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.32 -49.77 76.56 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.781 1.232 . . . . 0.0 112.809 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -62.53 -37.74 87.26 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.303 1.041 . . . . 0.0 112.016 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -67.92 -53.11 28.89 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.987 0.915 . . . . 0.0 111.303 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -33.62 75.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.582 1.153 . . . . 0.0 113.492 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -38.36 87.65 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.316 0.962 . . . . 0.0 111.914 169.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -36.08 61.01 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.09 -36.98 85.39 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.813 171.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.96 -37.66 87.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.359 1.464 . . . . 0.0 112.04 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 44.7 mtm -71.1 -44.35 65.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.51 0.724 . . . . 0.0 111.679 170.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.52 74.98 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.876 0.87 . . . . 0.0 113.331 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -57.52 -26.41 61.3 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.791 1.236 . . . . 0.0 113.885 174.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -82.54 -4.91 58.34 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.697 1.599 . . . . 0.0 113.324 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.79 0.93 6.72 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.324 2.649 . . . . 0.0 112.66 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 93.65 45.64 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.807 2.843 . . . . 0.0 113.991 170.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 47.83 78.38 0.08 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 128.104 2.562 . . . . 0.0 115.12 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.6 t -127.7 42.26 3.35 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.359 1.864 . . . . 0.0 110.508 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -52.18 -43.26 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.964 1.306 . . . . 0.0 113.512 -163.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -59.52 -39.31 94.81 Favored Glycine 0 N--CA 1.477 1.414 0 C-N-CA 124.682 1.134 . . . . 0.0 113.883 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.6 m -77.28 -35.83 54.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.308 1.043 . . . . 0.0 112.164 172.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -61.12 -42.32 98.32 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.59 -0.694 . . . . 0.0 111.517 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.408 HD12 ' HA2' ' A' ' 58' ' ' GLY . 21.1 mt -51.66 -57.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.97 1.308 . . . . 0.0 109.831 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.57 -47.67 84.66 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.536 0.684 . . . . 0.0 111.152 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -62.84 -30.15 71.28 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.914 -1.116 . . . . 0.0 113.39 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.79 -36.48 70.32 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.171 1.351 . . . . 0.0 113.035 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.89 -45.72 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.395 1.478 . . . . 0.0 109.822 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -36.07 77.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.673 0.789 . . . . 0.0 111.385 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -61.24 -41.22 96.51 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.872 1.269 . . . . 0.0 111.463 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.68 72.13 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 170.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.89 -26.61 68.68 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.911 1.684 . . . . 0.0 113.275 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -58.65 -22.99 58.22 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.385 1.074 . . . . 0.0 113.811 172.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -156.18 51.61 0.53 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.165 1.386 . . . . 0.0 113.522 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.3 mt -45.45 -43.42 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.114 1.366 . . . . 0.0 113.731 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 126.673 1.989 . . . . 0.0 110.88 177.615 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -103.86 107.53 18.45 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.544 1.138 . . . . 0.0 112.228 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.03 131.12 47.56 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.269 1.027 . . . . 0.0 111.021 168.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.83 103.55 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 127.213 2.205 . . . . 0.0 109.32 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -125.4 137.79 54.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.47 178.09 7.56 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 126.949 2.099 . . . . 0.0 112.441 -174.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -137.01 88.02 2.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.834 2.054 . . . . 0.0 109.631 -167.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.81 -177.61 2.87 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.252 1.021 . . . . 0.0 111.894 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -130.95 167.47 18.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.735 0.814 . . . . 0.0 111.169 163.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -51.23 -43.36 61.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -165.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.98 -49.97 72.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.056 0.942 . . . . 0.0 112.616 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -62.78 -44.05 97.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.139 1.375 . . . . 0.0 111.56 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -64.54 -39.63 94.11 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.503 -0.748 . . . . 0.0 111.611 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.45 -40.45 81.07 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.543 1.137 . . . . 0.0 112.669 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.08 94.39 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.875 0.762 . . . . 0.0 112.153 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.59 -43.23 90.33 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.793 -0.567 . . . . 0.0 112.167 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.44 -38.33 83.79 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.066 0.947 . . . . 0.0 113.311 172.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -37.83 88.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.053 0.941 . . . . 0.0 112.048 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtm -72.99 -45.32 58.56 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.077 0.951 . . . . 0.0 111.685 171.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.58 79.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.89 0.876 . . . . 0.0 112.905 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -58.6 -27.54 64.76 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 121.013 -1.055 . . . . 0.0 113.658 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -74.49 -21.8 59.39 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.444 1.498 . . . . 0.0 113.325 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -101.16 -5.73 25.23 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.135 2.174 . . . . 0.0 113.061 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 98.54 42.42 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 129.728 3.211 . . . . 0.0 113.37 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 57.64 72.53 0.51 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.321 2.648 . . . . 0.0 114.042 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 71.5 p -113.66 26.82 10.05 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.692 2.397 . . . . 0.0 112.176 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.93 -45.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -153.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.92 -40.64 98.65 Favored Glycine 0 N--CA 1.475 1.267 0 O-C-N 121.356 -0.84 . . . . 0.0 113.568 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.6 m -71.87 -35.78 69.91 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.515 -0.991 . . . . 0.0 112.051 172.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.93 -41.73 96.77 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.323 0.649 . . . . 0.0 112.07 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.53 -47.32 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.081 1.352 . . . . 0.0 110.099 176.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.82 -47.23 75.74 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.068 0.547 . . . . 0.0 112.137 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -55.94 -38.56 70.47 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.968 -1.083 . . . . 0.0 112.887 175.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.61 -40.29 80.45 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.292 0.951 . . . . 0.0 112.257 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.53 -50.24 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.805 1.242 . . . . 0.0 109.651 170.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.71 -34.63 78.28 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.396 0.678 . . . . 0.0 110.847 -175.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.13 -46.53 83.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.935 1.294 . . . . 0.0 111.555 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.35 62.83 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.77 -14.22 61.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.142 1.377 . . . . 0.0 112.978 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -59.59 -21.14 59.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.628 1.171 . . . . 0.0 113.753 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -89.93 -8.87 50.78 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.212 1.405 . . . . 0.0 114.542 170.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 38.9 mm -111.51 -30.43 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 C-N-CA 126.861 2.064 . . . . 0.0 112.097 -169.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.248 1.025 0 C-N-CA 126.81 2.044 . . . . 0.0 112.693 166.399 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.464 0.173 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -85.45 78.38 9.72 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.357 1.063 . . . . 0.0 111.001 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 127.59 32.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.421 1.489 . . . . 0.0 110.898 168.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 64.2 t -139.73 110.81 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.95 1.7 . . . . 0.0 109.697 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.2 t -112.49 120.5 41.84 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.961 2.105 . . . . 0.0 111.642 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.36 168.15 19.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.476 1.911 . . . . 0.0 112.339 -170.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -127.69 90.94 3.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.42 1.888 . . . . 0.0 110.623 -169.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -83.75 176.97 8.57 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.921 2.089 . . . . 0.0 111.882 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -133.0 168.63 18.14 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.725 0.81 . . . . 0.0 112.087 173.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -56.74 -43.07 80.35 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.95 1.3 . . . . 0.0 112.994 -159.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.2 -56.31 22.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.172 0.989 . . . . 0.0 111.934 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -59.37 -39.83 84.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.86 1.264 . . . . 0.0 111.539 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -63.48 -52.84 59.66 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.021 1.329 . . . . 0.0 111.199 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -62.03 -40.39 95.54 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.921 1.289 . . . . 0.0 112.387 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -41.56 91.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.335 0.654 . . . . 0.0 111.6 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.23 -31.96 62.8 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -65.08 -37.98 89.28 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -41.75 88.19 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.979 0.912 . . . . 0.0 111.37 175.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.1 mtm -72.22 -39.37 68.57 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.905 1.282 . . . . 0.0 112.536 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.51 66.44 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.724 1.21 . . . . 0.0 113.603 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.86 -28.1 65.78 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.799 1.181 . . . . 0.0 113.161 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.36 -28.43 64.05 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.836 1.254 . . . . 0.0 112.208 172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -90.48 3.63 53.38 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.156 1.783 . . . . 0.0 111.928 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . 0.252 0.4 OUTLIER 64.06 54.41 1.68 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.25 2.62 . . . . 0.0 113.422 -177.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 56.66 84.55 0.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.683 2.793 . . . . 0.0 113.945 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -140.72 37.6 1.82 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 127.297 2.239 . . . . 0.0 111.03 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -47.12 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 126.06 1.744 . . . . 0.0 114.644 -170.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.35 93.96 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.242 0.925 . . . . 0.0 113.08 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -75.96 -38.88 57.04 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 125.37 1.468 . . . . 0.0 112.116 173.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -61.64 -43.87 98.05 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.934 0.788 . . . . 0.0 110.95 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.6 mt -51.22 -54.69 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.683 1.193 . . . . 0.0 109.246 173.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.02 -57.05 13.77 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -51.74 -34.7 40.39 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.458 2.303 . . . . 0.0 113.817 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -64.08 -40.42 96.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.809 1.244 . . . . 0.0 112.535 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.81 -43.26 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.061 1.744 . . . . 0.0 110.276 169.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -66.87 -37.99 85.47 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.74 0.7 . . . . 0.0 110.983 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.54 -43.34 94.3 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.143 1.777 . . . . 0.0 111.393 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.4 75.93 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.545 0.738 . . . . 0.0 112.829 171.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.5 -27.32 69.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.918 1.687 . . . . 0.0 112.945 -177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.1 mtp85 -58.44 -27.52 64.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.791 1.236 . . . . 0.0 113.052 174.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -154.95 67.57 0.68 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.598 1.959 . . . . 0.0 112.483 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.52 -49.3 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.685 1.194 . . . . 0.0 112.687 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.82 1.648 . . . . 0.0 112.921 177.776 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -85.03 163.89 18.58 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.989 0.916 . . . . 0.0 110.807 170.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.68 126.02 39.24 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.598 . . . . 0.0 110.492 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.57 90.74 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 126.437 1.895 . . . . 0.0 108.744 -177.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.5 t -111.59 116.77 31.38 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.313 1.045 . . . . 0.0 111.533 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -136.13 178.06 7.35 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.273 1.429 . . . . 0.0 113.096 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -137.23 92.97 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 113.526 -1.67 . . . . 0.0 110.984 -167.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -76.28 176.03 8.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.583 1.553 . . . . 0.0 111.368 166.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -127.42 173.67 9.63 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.816 0.846 . . . . 0.0 110.622 162.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -64.27 -28.62 69.85 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -159.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.44 -53.94 44.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.644 1.178 . . . . 0.0 111.936 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.0 -46.47 85.19 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.841 1.256 . . . . 0.0 110.779 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.36 -39.23 93.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.571 0.748 . . . . 0.0 111.887 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.13 -44.25 89.28 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.477 1.111 . . . . 0.0 111.806 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -60.72 -40.63 93.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.614 0.766 . . . . 0.0 112.525 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.6 -44.39 86.76 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.586 0.63 . . . . 0.0 111.768 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.74 -39.14 83.78 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -63.0 -36.05 82.26 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.024 1.329 . . . . 0.0 112.581 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 68.6 mtm -72.91 -47.86 42.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.557 1.143 . . . . 0.0 111.339 169.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.428 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -60.57 -28.55 68.55 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 124.87 1.268 . . . . 0.0 113.242 -176.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -57.37 -28.48 63.21 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.792 1.178 . . . . 0.0 113.139 172.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -70.33 -31.19 68.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.303 1.041 . . . . 0.0 112.36 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -88.75 1.68 54.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.987 2.115 . . . . 0.0 112.5 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 74.99 46.88 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.49 2.716 . . . . 0.0 113.278 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 56.67 85.57 0.08 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.83 3.252 . . . . 0.0 114.592 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.428 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 78.4 p -124.77 28.27 6.56 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 128.418 2.687 . . . . 0.0 112.361 -175.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 t -44.8 -49.42 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 126.246 1.819 . . . . 0.0 115.227 -155.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.14 -42.16 98.44 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.109 0.868 . . . . 0.0 113.328 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 38.3 m -68.99 -36.96 78.43 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.445 -1.033 . . . . 0.0 111.764 171.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.6 -40.4 94.67 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.562 0.619 . . . . 0.0 112.195 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.77 -51.18 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.467 1.507 . . . . 0.0 109.246 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -57.75 -58.46 8.28 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.373 0.269 . . . . 0.0 110.898 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -49.42 -37.53 25.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.76 2.424 . . . . 0.0 113.156 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.91 -38.38 72.98 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.049 1.34 . . . . 0.0 113.073 -176.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 15.1 mm -55.0 -50.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.365 1.466 . . . . 0.0 108.662 168.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.1 -36.23 77.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.067 0.547 . . . . 0.0 110.845 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.33 -39.52 93.33 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.276 1.83 . . . . 0.0 112.181 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.5 73.83 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.945 0.898 . . . . 0.0 112.803 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -66.49 -22.64 66.19 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.986 1.714 . . . . 0.0 113.733 -174.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -52.1 -35.08 46.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.414 1.086 . . . . 0.0 113.215 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -156.86 78.1 0.9 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 127.15 2.18 . . . . 0.0 110.695 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 mt -47.59 -49.08 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.968 1.707 . . . . 0.0 112.222 175.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 127.646 2.378 . . . . 0.0 112.098 177.659 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.41 0.148 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -104.06 93.83 5.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.231 1.412 . . . . 0.0 112.479 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.63 117.68 3.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.518 2.327 . . . . 0.0 111.553 160.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG11 HD13 ' B' ' 61' ' ' ILE . 53.4 t -141.12 99.2 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.604 1.562 . . . . 0.0 109.779 -174.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -114.29 118.98 35.44 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.899 1.28 . . . . 0.0 112.459 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -122.8 169.47 11.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.017 2.127 . . . . 0.0 111.949 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -128.81 80.45 1.97 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.068 1.747 . . . . 0.0 110.184 -165.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.05 168.65 19.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.213 1.805 . . . . 0.0 110.488 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -95.16 169.07 10.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.541 -0.725 . . . . 0.0 112.275 169.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -53.48 -41.67 66.46 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.247 0.619 . . . . 0.0 111.485 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.28 -55.25 34.02 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.511 1.125 . . . . 0.0 112.185 174.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -57.93 -41.57 83.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 122.056 0.142 . . . . 0.0 110.909 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -63.57 -47.12 82.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.108 0.963 . . . . 0.0 112.626 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -36.25 83.7 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.381 0.673 . . . . 0.0 112.779 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.96 -41.21 91.43 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.566 1.076 . . . . 0.0 111.855 169.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.53 -43.76 89.02 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -58.07 -43.65 87.06 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.257 0.935 . . . . 0.0 112.446 171.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.52 -26.78 66.5 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.301 -0.874 . . . . 0.0 112.806 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.71 -49.85 23.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.97 1.308 . . . . 0.0 111.885 163.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -58.61 -27.95 65.15 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.818 1.647 . . . . 0.0 113.993 -177.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.14 -26.14 64.48 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.484 1.038 . . . . 0.0 113.07 171.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.04 -29.89 68.12 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.179 -0.95 . . . . 0.0 112.663 172.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -93.24 1.95 56.83 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.693 1.997 . . . . 0.0 112.161 171.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 70.93 49.44 0.36 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.414 2.686 . . . . 0.0 112.977 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 64.42 104.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 130.175 3.39 . . . . 0.0 114.702 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.519 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 61.8 p -148.09 24.47 1.04 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.265 2.226 . . . . 0.0 112.113 -171.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.02 122.32 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.247 1.019 . . . . 0.0 110.489 -171.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . 116.71 -58.57 0.48 Allowed Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.123 1.344 . . . . 0.0 110.909 -171.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -64.12 -44.07 93.38 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.626 0.77 . . . . 0.0 110.949 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -55.37 -42.37 73.86 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.494 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.451 HD12 ' HA2' ' A' ' 58' ' ' GLY . 50.9 mt -58.34 -53.1 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.874 1.27 . . . . 0.0 109.466 178.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -59.68 -50.36 74.17 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.915 0.388 . . . . 0.0 110.573 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.3 tpt85 -55.35 -36.82 66.73 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.759 1.623 . . . . 0.0 112.494 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -69.8 -43.72 71.49 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.411 1.084 . . . . 0.0 112.792 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.56 -41.97 89.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.824 1.249 . . . . 0.0 109.985 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.58 -38.3 77.3 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.498 1.119 . . . . 0.0 110.745 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -61.32 -43.35 99.02 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.555 1.542 . . . . 0.0 111.67 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.12 86.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.247 1.019 . . . . 0.0 112.643 174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -29.03 69.99 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.22 1.408 . . . . 0.0 112.562 -176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -29.57 64.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.685 1.594 . . . . 0.0 114.162 171.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -158.3 58.37 0.46 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.148 1.779 . . . . 0.0 113.435 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.96 -50.91 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.099 0.96 . . . . 0.0 111.945 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.726 1.61 . . . . 0.0 113.332 175.353 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.592 0.234 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.93 173.59 7.77 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.578 1.551 . . . . 0.0 111.616 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.96 117.41 21.68 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.209 1.404 . . . . 0.0 111.234 -175.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.411 HG13 HD13 ' A' ' 61' ' ' ILE . 45.9 t -126.03 90.11 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.608 1.963 . . . . 0.0 109.093 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 17.5 t -109.57 126.35 53.5 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.64 0.776 . . . . 0.0 111.491 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -120.64 163.0 18.71 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.514 1.926 . . . . 0.0 111.372 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -127.02 81.05 1.99 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.747 2.019 . . . . 0.0 108.91 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.31 178.63 5.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.595 1.558 . . . . 0.0 111.549 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -138.49 -179.73 5.98 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.535 1.134 . . . . 0.0 110.836 168.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -52.52 -53.14 49.98 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.02 1.328 . . . . 0.0 113.168 -164.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.98 -51.95 67.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.412 1.085 . . . . 0.0 112.649 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -56.28 -48.41 76.67 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.536 1.534 . . . . 0.0 111.105 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -67.18 -40.18 86.52 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.683 0.793 . . . . 0.0 111.895 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -65.49 -45.08 85.0 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.504 1.122 . . . . 0.0 112.582 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -40.79 94.81 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.794 0.724 . . . . 0.0 111.799 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.494 HD13 ' CG1' ' B' ' 61' ' ' ILE . 0.6 OUTLIER -67.14 -39.52 86.57 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 174.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.95 -40.2 94.72 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.354 -0.842 . . . . 0.0 112.679 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -60.79 -38.13 84.29 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.373 1.069 . . . . 0.0 111.732 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 7.4 mtm -66.77 -44.75 80.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.016 1.327 . . . . 0.0 112.289 168.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.497 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -59.84 -20.68 58.42 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.488 1.515 . . . . 0.0 114.579 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -58.66 -26.56 63.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.581 1.082 . . . . 0.0 113.396 167.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -70.75 -30.61 67.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.394 1.078 . . . . 0.0 112.474 172.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -86.3 2.73 46.22 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.826 1.65 . . . . 0.0 112.261 169.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 66.07 48.78 1.67 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.574 2.35 . . . . 0.0 112.296 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 62.38 99.34 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 129.207 3.003 . . . . 0.0 113.923 -172.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.497 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 3.1 t -146.02 39.84 1.13 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.1 1.36 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -60.45 116.38 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.778 1.231 . . . . 0.0 110.133 -173.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.423 ' HA2' HD12 ' B' ' 61' ' ' ILE . . . 122.81 -58.87 0.6 Allowed Glycine 0 N--CA 1.471 1.012 0 C-N-CA 125.227 1.394 . . . . 0.0 110.676 -170.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -63.13 -38.36 90.86 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.352 -1.087 . . . . 0.0 111.184 171.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -40.55 87.68 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.576 0.751 . . . . 0.0 112.841 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.494 ' CG1' HD13 ' B' ' 46' ' ' LEU . 6.5 mt -56.72 -52.09 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.015 1.326 . . . . 0.0 110.144 175.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -58.03 10.08 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 110.423 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -55.92 -36.21 67.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.184 1.794 . . . . 0.0 112.105 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -63.49 -49.2 74.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.513 1.052 . . . . 0.0 111.968 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 23.2 mm -64.07 -43.79 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 126.149 1.78 . . . . 0.0 110.517 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.65 -32.66 70.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.085 0.954 . . . . 0.0 110.703 -176.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -68.37 -46.96 68.64 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.507 1.523 . . . . 0.0 111.694 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.31 -34.08 73.29 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.193 0.997 . . . . 0.0 112.391 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.55 -27.14 68.4 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.66 1.584 . . . . 0.0 113.184 -177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -59.2 -39.87 83.97 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.301 1.04 . . . . 0.0 112.63 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -146.5 78.11 1.5 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.595 1.958 . . . . 0.0 112.706 171.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.56 -36.01 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 123.041 0.536 . . . . 0.0 111.352 163.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 128.433 2.693 . . . . 0.0 111.222 169.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.745 0.307 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -116.81 105.81 12.79 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.828 1.651 . . . . 0.0 111.545 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.04 132.59 54.31 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.403 0.681 . . . . 0.0 111.216 170.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -132.4 95.24 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.718 2.007 . . . . 0.0 108.389 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -115.49 109.25 17.55 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.413 1.485 . . . . 0.0 110.573 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -125.6 163.17 23.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.585 1.154 . . . . 0.0 112.94 -164.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -126.76 79.04 1.84 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.796 1.638 . . . . 0.0 110.243 -168.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 32.6 m-85 -77.35 166.3 23.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.541 1.936 . . . . 0.0 111.374 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -122.51 172.34 8.44 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.293 0.637 . . . . 0.0 111.596 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -53.85 -54.12 42.99 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.757 1.223 . . . . 0.0 112.776 -160.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.28 -53.21 59.93 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.026 0.93 . . . . 0.0 112.745 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -58.49 -41.38 85.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.092 0.957 . . . . 0.0 111.0 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -70.53 -49.16 51.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.722 0.809 . . . . 0.0 112.437 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.847 1.259 . . . . 0.0 112.687 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -43.03 98.55 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.616 -0.677 . . . . 0.0 110.706 171.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.31 -33.17 75.13 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.0 -41.23 95.58 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.3 -0.875 . . . . 0.0 112.165 171.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -63.56 -36.56 84.18 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.051 0.94 . . . . 0.0 112.665 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.0 mtp -69.09 -47.14 65.98 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.875 1.67 . . . . 0.0 111.362 171.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -61.67 -25.3 67.31 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 126.342 1.857 . . . . 0.0 113.8 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -58.1 -25.62 61.58 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.585 1.084 . . . . 0.0 112.877 170.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -75.1 -25.4 58.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.01 0.924 . . . . 0.0 113.438 172.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -87.09 1.03 54.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.206 1.802 . . . . 0.0 112.017 166.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 73.8 44.65 0.27 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.245 2.618 . . . . 0.0 112.473 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 59.3 91.4 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 129.747 3.219 . . . . 0.0 113.424 -175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 7.5 t -140.72 40.05 1.85 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.808 2.043 . . . . 0.0 110.005 -176.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.63 138.09 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.754 1.222 . . . . 0.0 111.439 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.48 -54.02 1.75 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 125.381 1.467 . . . . 0.0 110.637 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.6 t -62.9 -39.78 95.56 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.191 -1.182 . . . . 0.0 111.085 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.92 -38.6 70.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.329 1.052 . . . . 0.0 112.768 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.53 -54.68 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 124.271 1.028 . . . . 0.0 109.679 173.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -63.69 -49.67 72.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.96 -178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -48.19 -43.21 31.58 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.196 1.398 . . . . 0.0 111.636 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -38.31 56.45 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.3 -42.81 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.403 1.081 . . . . 0.0 109.913 170.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -38.75 78.67 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 109.837 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.74 -39.79 92.81 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.315 1.446 . . . . 0.0 112.561 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.67 71.15 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.103 0.961 . . . . 0.0 111.152 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.62 -27.41 69.22 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.74 1.616 . . . . 0.0 113.653 -172.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -57.39 -33.98 68.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.322 1.049 . . . . 0.0 113.279 170.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -158.39 67.58 0.46 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.613 1.565 . . . . 0.0 112.94 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.07 -49.71 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.793 0.837 . . . . 0.0 112.229 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.981 1.712 . . . . 0.0 113.273 -176.738 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 121.366 0.603 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.19 166.17 13.09 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.402 1.881 . . . . 0.0 110.885 173.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.93 118.63 16.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.12 1.368 . . . . 0.0 110.784 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 t -133.59 90.09 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.239 1.416 . . . . 0.0 110.266 -165.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 26.4 t -101.09 118.76 37.64 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.993 1.717 . . . . 0.0 112.929 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -125.24 172.77 9.28 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.366 2.267 . . . . 0.0 112.284 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -130.85 90.53 2.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.082 2.153 . . . . 0.0 109.967 -177.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -77.55 174.25 11.09 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 126.486 1.914 . . . . 0.0 111.576 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 60.5 p -115.41 172.72 6.92 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.149 0.98 . . . . 0.0 113.622 168.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.53 -44.24 65.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.303 1.441 . . . . 0.0 111.81 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.86 -55.75 23.41 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.905 1.282 . . . . 0.0 112.082 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -56.9 -38.5 72.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.475 1.91 . . . . 0.0 112.161 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.61 -48.11 42.34 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.81 1.244 . . . . 0.0 111.601 175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.44 -40.57 97.52 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.559 1.144 . . . . 0.0 112.93 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -57.74 -42.36 83.73 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 118.735 -0.65 . . . . 0.0 111.086 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.403 HD13 HG12 ' B' ' 61' ' ' ILE . 4.8 mt -81.33 -23.95 37.46 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.85 -41.56 95.6 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.367 -0.833 . . . . 0.0 112.596 169.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.46 -40.1 81.74 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.764 1.226 . . . . 0.0 111.698 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 82.7 mtp -73.51 -40.18 64.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.025 1.73 . . . . 0.0 112.713 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -58.87 -27.36 65.1 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.362 1.065 . . . . 0.0 113.175 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -58.2 -25.25 61.37 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.297 -0.877 . . . . 0.0 113.279 171.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.94 -25.26 61.81 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.217 1.007 . . . . 0.0 113.372 174.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.03 -3.11 51.93 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.603 1.561 . . . . 0.0 112.226 168.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 77.43 50.0 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.628 2.771 . . . . 0.0 112.212 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.9 100.59 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 129.927 3.291 . . . . 0.0 114.205 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.54 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 96.8 p -143.65 30.76 1.33 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.712 2.405 . . . . 0.0 110.769 -175.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.75 139.28 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.246 -0.909 . . . . 0.0 111.312 -175.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.75 -52.27 2.63 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.963 1.268 . . . . 0.0 110.983 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -64.53 -43.74 93.04 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.979 -0.719 . . . . 0.0 110.521 171.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -38.28 86.89 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.583 -0.698 . . . . 0.0 112.7 174.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.403 HG12 HD13 ' B' ' 46' ' ' LEU . 89.1 mt -57.23 -48.8 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 109.133 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -59.75 -52.88 63.59 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.006 0.522 . . . . 0.0 112.006 174.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -50.93 -44.46 60.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.963 1.705 . . . . 0.0 112.008 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -64.11 -44.21 92.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.298 1.047 . . . . 0.0 111.838 -170.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.4 mm -59.69 -51.83 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 125.84 1.656 . . . . 0.0 110.242 173.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.61 -19.48 60.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -72.71 -45.17 60.14 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 127.572 2.349 . . . . 0.0 111.582 168.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.8 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.103 0.961 . . . . 0.0 112.169 174.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.1 -39.43 66.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.773 2.029 . . . . 0.0 111.67 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -60.52 -18.98 55.54 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 114.168 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 -30.08 8.69 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.468 1.907 . . . . 0.0 113.288 173.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.98 -45.28 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.977 1.311 . . . . 0.0 111.159 175.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.428 1.891 . . . . 0.0 113.097 176.705 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 122.057 0.932 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -117.8 96.84 5.54 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.078 1.751 . . . . 0.0 110.768 174.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 129.35 41.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.396 1.078 . . . . 0.0 111.722 170.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -145.2 112.7 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.181 1.792 . . . . 0.0 109.221 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -122.53 140.82 52.34 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.836 1.255 . . . . 0.0 113.418 -168.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.93 164.12 27.65 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.033 -172.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -129.09 72.44 1.47 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.698 1.199 . . . . 0.0 110.546 -164.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -73.78 168.07 20.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.425 1.89 . . . . 0.0 112.95 -174.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.0 p -95.15 163.97 13.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 123.494 0.718 . . . . 0.0 112.019 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.51 -49.25 46.64 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.407 0.683 . . . . 0.0 111.344 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.41 -60.0 4.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 113.347 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.98 -30.65 71.08 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -70.3 -50.29 40.85 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.935 -1.103 . . . . 0.0 113.017 172.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.02 -33.89 75.2 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.408 0.683 . . . . 0.0 112.325 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -34.47 72.24 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.098 1.359 . . . . 0.0 112.995 169.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -47.68 47.86 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.721 1.146 . . . . 0.0 112.458 164.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -56.99 -36.68 70.64 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.363 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.28 -39.07 89.16 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.238 0.615 . . . . 0.0 111.99 175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 23.3 ttp -72.5 -43.62 63.37 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.11 1.364 . . . . 0.0 112.246 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.42 -28.37 66.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.798 2.039 . . . . 0.0 114.186 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -58.96 -22.57 60.41 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -70.66 -31.87 68.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.729 1.212 . . . . 0.0 113.573 171.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.42 -0.91 57.7 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.228 2.211 . . . . 0.0 113.168 169.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 73.7 45.67 0.23 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.899 2.48 . . . . 0.0 112.857 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 65.27 102.78 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 129.371 3.068 . . . . 0.0 114.457 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.473 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 92.9 p -143.47 36.94 1.34 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.421 2.288 . . . . 0.0 110.615 -177.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 t -57.43 126.59 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 120.77 -1.206 . . . . 0.0 111.678 -169.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.32 -44.0 2.33 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 125.759 1.647 . . . . 0.0 112.218 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.1 m -66.34 -33.33 75.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.204 -1.174 . . . . 0.0 111.903 168.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 49' ' ' MET . 1.4 t80 -60.6 -41.78 95.45 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.435 -0.791 . . . . 0.0 112.065 170.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -48.71 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.007 0.923 . . . . 0.0 109.508 173.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -63.73 -47.35 81.41 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.121 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -55.85 -40.31 72.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.348 1.059 . . . . 0.0 112.809 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -38.68 87.07 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.281 1.032 . . . . 0.0 112.385 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.471 HG21 HD11 ' B' ' 46' ' ' LEU . 7.4 mm -77.55 -35.22 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.572 1.149 . . . . 0.0 111.696 177.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -34.94 78.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 110.628 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.73 -45.33 86.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 112.204 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.78 -37.71 87.04 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.894 0.878 . . . . 0.0 112.988 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.33 -16.3 63.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.798 1.639 . . . . 0.0 113.892 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -59.64 -28.97 67.7 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -159.79 48.02 0.28 Allowed 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -168.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.5 mm -49.71 -37.46 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 124.624 1.17 . . . . 0.0 113.486 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 N--CA 1.483 1.199 0 C-N-CA 128.603 2.761 . . . . 0.0 113.982 177.427 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 123.197 1.475 . . . . 0.0 114.35 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -86.09 101.4 12.92 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.736 -1.574 . . . . 0.0 111.38 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.15 122.58 14.78 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.125 0.97 . . . . 0.0 111.168 169.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.5 88.65 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 127.245 2.218 . . . . 0.0 108.515 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 18.3 t -101.45 135.75 42.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.111 0.964 . . . . 0.0 112.241 -177.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.1 mt -125.79 156.57 39.29 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.54 1.936 . . . . 0.0 110.141 -170.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.04 80.23 1.88 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.148 1.379 . . . . 0.0 110.035 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -70.39 176.96 3.63 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.876 1.27 . . . . 0.0 111.483 166.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -126.44 178.71 5.69 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.709 0.804 . . . . 0.0 110.063 156.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -45.73 -47.82 15.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.469 1.507 . . . . 0.0 114.481 -160.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -61.83 -55.64 27.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.028 0.931 . . . . 0.0 112.442 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -62.93 -36.26 82.83 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.634 1.174 . . . . 0.0 112.884 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -64.36 -47.42 79.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.35 1.06 . . . . 0.0 111.709 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -66.46 -35.97 81.6 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.314 1.045 . . . . 0.0 112.782 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -57.88 -43.49 86.08 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.094 1.357 . . . . 0.0 111.981 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.507 HD13 HG12 ' B' ' 61' ' ' ILE . 10.2 mt -75.53 -31.76 60.23 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.0 -38.62 91.55 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 170.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -37.48 87.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.296 1.038 . . . . 0.0 111.455 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.57 -48.07 76.37 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.796 1.238 . . . . 0.0 111.706 168.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -32.17 71.23 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.274 1.03 . . . . 0.0 113.426 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.25 -21.97 50.45 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.16 1.384 . . . . 0.0 113.522 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -70.49 -26.85 63.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.612 1.165 . . . . 0.0 113.456 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -99.61 -18.57 17.26 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.54 1.936 . . . . 0.0 112.996 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . 0.253 19.1 tt0 114.21 54.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 131.227 3.811 . . . . 0.0 112.25 168.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.267 9.0 pt-20 48.1 70.43 0.44 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.692 2.397 . . . . 0.0 114.328 173.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.3 t -132.52 49.16 2.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.581 1.952 . . . . 0.0 108.958 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.73 129.2 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.716 1.206 . . . . 0.0 111.864 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.75 -55.06 0.67 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 126.103 1.811 . . . . 0.0 110.318 -170.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.9 m -70.91 -42.58 69.74 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.477 -1.013 . . . . 0.0 112.773 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.46 -42.28 98.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.298 1.046 . . . . 0.0 111.717 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.507 HG12 HD13 ' B' ' 46' ' ' LEU . 27.8 mt -57.49 -49.64 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 127.826 2.451 . . . . 0.0 110.171 177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -60.19 -53.59 55.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.952 0.501 . . . . 0.0 111.209 172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -50.18 -41.12 48.75 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.401 1.08 . . . . 0.0 112.416 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.14 -39.78 65.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.958 0.903 . . . . 0.0 113.347 -176.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.8 mm -62.61 -46.68 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.394 1.078 . . . . 0.0 109.796 170.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -32.76 70.64 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.398 0.679 . . . . 0.0 110.378 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -62.79 -42.04 99.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.555 1.142 . . . . 0.0 112.352 170.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.4 83.42 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 171.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -22.2 61.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.164 1.386 . . . . 0.0 113.392 -173.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -58.82 -22.62 59.0 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 165.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -155.07 48.07 0.54 Allowed 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -171.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.98 -41.28 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.253 1.021 . . . . 0.0 112.513 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 126.589 1.955 . . . . 0.0 110.816 174.468 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.983 0.42 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -123.55 125.58 45.13 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.883 2.073 . . . . 0.0 111.863 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.27 125.19 28.72 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.285 1.034 . . . . 0.0 111.124 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.36 87.84 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.701 1.6 . . . . 0.0 109.043 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 t -110.41 119.63 39.83 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.88 1.272 . . . . 0.0 112.743 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -131.15 168.02 18.15 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.569 2.347 . . . . 0.0 111.663 -172.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -128.59 88.4 2.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.939 2.096 . . . . 0.0 110.049 -171.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -70.57 168.15 16.97 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.3 1.44 . . . . 0.0 111.973 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.9 m -106.96 160.94 15.16 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.523 0.729 . . . . 0.0 111.172 170.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -52.23 -48.59 65.08 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.176 0.99 . . . . 0.0 113.117 -170.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.51 -49.12 79.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.932 0.893 . . . . 0.0 112.298 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -60.02 -45.03 94.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.041 1.336 . . . . 0.0 110.876 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -63.79 -47.99 78.7 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.453 1.501 . . . . 0.0 111.71 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.32 -40.44 96.34 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.707 1.203 . . . . 0.0 112.264 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.17 -41.77 89.2 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.34 0.973 . . . . 0.0 112.01 171.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.24 -43.36 78.08 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -61.09 -39.0 88.29 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.566 -0.709 . . . . 0.0 112.73 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.76 -39.86 90.35 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.032 1.333 . . . . 0.0 111.72 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.2 mtm -71.22 -44.21 65.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.499 1.12 . . . . 0.0 112.111 172.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' HB1' ' H ' ' A' ' 56' ' ' SER . . . -59.81 -30.39 68.88 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.898 1.279 . . . . 0.0 113.397 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -56.83 -28.11 61.09 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.092 0.86 . . . . 0.0 113.058 171.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.41 -26.69 61.08 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.412 1.085 . . . . 0.0 113.257 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -90.54 -0.65 57.75 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.162 1.785 . . . . 0.0 112.762 168.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 74.92 52.76 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 128.059 2.544 . . . . 0.0 112.448 -178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 59.08 84.07 0.12 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.215 3.006 . . . . 0.0 114.311 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.435 ' H ' ' HB1' ' A' ' 50' ' ' ALA . 88.7 p -123.89 18.47 9.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.088 2.555 . . . . 0.0 113.442 -174.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 t -40.43 -55.0 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.767 . . . . 0.0 115.749 -152.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.22 -37.39 94.81 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-N 119.059 0.845 . . . . 0.0 113.467 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.8 m -69.02 -38.31 79.13 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.238 -1.154 . . . . 0.0 111.585 170.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.23 -44.83 88.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.254 0.934 . . . . 0.0 111.292 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.71 -61.59 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.856 1.662 . . . . 0.0 109.194 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -54.24 -50.81 66.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.801 0.84 . . . . 0.0 112.158 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -57.98 -37.34 74.05 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.717 0.807 . . . . 0.0 112.865 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.91 -43.81 82.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.681 1.128 . . . . 0.0 112.061 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.481 HD13 HG12 ' B' ' 61' ' ' ILE . 6.1 mt -61.47 -40.81 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.876 1.67 . . . . 0.0 110.765 174.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -34.46 71.09 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.749 0.819 . . . . 0.0 111.062 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.97 -39.32 93.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.016 1.326 . . . . 0.0 111.91 173.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.86 84.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.401 0.68 . . . . 0.0 112.453 168.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.65 -34.11 75.13 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.97 1.308 . . . . 0.0 111.672 -176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -56.85 -21.52 29.78 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.985 1.714 . . . . 0.0 114.566 171.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -108.17 -29.45 8.92 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.229 1.812 . . . . 0.0 113.877 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.1 mt -68.0 -43.72 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.663 1.185 . . . . 0.0 111.118 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.258 1.823 . . . . 0.0 113.112 176.393 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -83.98 167.37 16.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.901 1.68 . . . . 0.0 110.906 175.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.76 112.01 15.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.261 1.425 . . . . 0.0 111.027 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -128.8 90.15 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.329 1.852 . . . . 0.0 109.267 -173.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -120.04 116.59 26.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.526 1.13 . . . . 0.0 112.438 -174.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -113.38 161.67 17.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.655 1.582 . . . . 0.0 111.178 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.0 80.22 1.42 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.87 1.668 . . . . 0.0 109.93 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.478 ' CE2' HD11 ' B' ' 61' ' ' ILE . 4.6 m-85 -75.16 177.36 6.52 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.205 1.802 . . . . 0.0 110.639 174.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -137.45 179.5 6.37 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.171 -0.956 . . . . 0.0 110.938 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -46.89 -53.3 12.47 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.536 1.534 . . . . 0.0 114.059 -167.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -53.18 -58.6 6.49 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.786 1.175 . . . . 0.0 113.084 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -56.27 -42.48 77.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.958 1.703 . . . . 0.0 111.722 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.65 -40.85 61.2 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.429 1.092 . . . . 0.0 112.732 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -35.92 74.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 123.989 0.916 . . . . 0.0 111.78 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -62.42 -40.46 96.64 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.984 0.914 . . . . 0.0 111.97 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.545 HD11 HG13 ' B' ' 61' ' ' ILE . 1.0 OUTLIER -60.02 -43.45 95.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 167.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.43 -38.04 85.72 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.994 0.816 . . . . 0.0 112.854 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -61.77 -41.87 98.26 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.44 1.496 . . . . 0.0 111.592 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 41.3 mtp -68.43 -48.2 65.23 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.934 2.094 . . . . 0.0 111.084 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.563 ' HB1' ' H ' ' B' ' 56' ' ' SER . . . -61.0 -30.55 70.35 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.431 1.893 . . . . 0.0 114.175 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -58.18 -29.99 66.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.774 1.17 . . . . 0.0 112.852 171.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -77.97 -14.02 59.67 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.462 1.105 . . . . 0.0 113.072 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -102.75 4.35 37.9 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.838 2.055 . . . . 0.0 111.601 166.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 63.64 58.38 1.3 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.59 2.356 . . . . 0.0 112.31 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 62.97 94.72 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.09 2.556 . . . . 0.0 114.331 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.563 ' H ' ' HB1' ' B' ' 50' ' ' ALA . 5.6 t -138.95 39.04 2.15 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.386 2.674 . . . . 0.0 109.921 177.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.91 130.63 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.487 -1.383 . . . . 0.0 111.227 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.07 -43.62 3.26 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 125.461 1.505 . . . . 0.0 111.384 -175.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -62.08 -34.75 76.87 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.237 -1.155 . . . . 0.0 111.401 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.05 -40.55 85.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.781 1.232 . . . . 0.0 112.419 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.545 HG13 HD11 ' B' ' 46' ' ' LEU . 0.1 OUTLIER -56.74 -49.49 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 125.556 1.542 . . . . 0.0 110.3 177.272 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -58.39 -57.75 11.53 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.147 0.979 . . . . 0.0 109.532 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.47 -43.16 7.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.864 2.065 . . . . 0.0 112.878 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.38 -34.89 75.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.896 1.279 . . . . 0.0 113.954 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.05 -42.01 93.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 124.034 0.933 . . . . 0.0 110.101 168.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.73 -35.18 74.78 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.368 -0.833 . . . . 0.0 110.417 -178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.29 -47.53 85.61 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.335 2.254 . . . . 0.0 111.443 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.59 76.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.141 0.976 . . . . 0.0 113.212 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.55 -18.25 65.26 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.36 1.464 . . . . 0.0 113.707 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.65 -48.84 74.31 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.003 1.321 . . . . 0.0 112.127 170.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -144.09 81.79 1.69 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.281 2.232 . . . . 0.0 111.199 172.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 31.9 mt -55.0 -54.44 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.009 0.923 . . . . 0.0 111.239 172.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.984 1.714 . . . . 0.0 113.1 176.957 . . . . . . . . 0 0 . 1 stop_ save_