data_6nvz_residue ############################ # Computer software used # ############################ 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 6nvz _Structure_validation_residue.Date_analyzed 2020-02-07 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 ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -65.0 -31.05 72.1 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.753 -1.217 . . . . 0.0 113.621 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.97 -27.14 36.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.591 1.156 . . . . 0.0 113.079 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.08 -37.67 33.32 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.857 1.263 . . . . 0.0 110.335 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 35.2 t60 -48.08 -54.31 13.59 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 126.973 2.109 . . . . 0.0 110.513 175.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.56 4.25 5.16 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.91 -36.22 25.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.363 1.065 . . . . 0.0 108.982 162.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -52.87 -35.88 58.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.495 -1.378 . . . . 0.0 111.617 171.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -70.83 -12.13 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.101 1.361 . . . . 0.0 110.871 -168.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.91 -53.13 5.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 126.745 2.018 . . . . 0.0 110.635 172.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.8 -22.14 25.32 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.909 0.766 . . . . 0.0 114.403 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.82 -31.35 71.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.849 1.325 . . . . 0.0 111.669 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -44.19 12.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.793 1.637 . . . . 0.0 112.718 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 mt -69.52 -42.25 74.95 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 121.05 -1.032 . . . . 0.0 111.748 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -100.23 -19.87 16.19 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 t60 55.58 82.67 0.1 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.95 1.3 . . . . 0.0 112.887 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.24 61.7 2.45 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.361 1.465 . . . . 0.0 110.657 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -153.6 79.4 1.15 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 123.251 1.501 . . . . 0.0 109.796 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.514 ' CH2' ' HB2' ' A' ' 49' ' ' ALA . 3.7 m95 -64.4 -27.8 69.25 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.556 -1.34 . . . . 0.0 111.786 -169.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.54 5.47 0.19 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.992 2.517 . . . . 0.0 114.15 171.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -123.39 -29.43 3.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.906 1.283 . . . . 0.0 112.423 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.94 -43.52 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.535 1.134 . . . . 0.0 112.695 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -20.79 59.93 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -78.55 -30.8 47.08 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -75.28 -43.63 50.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 122.648 1.214 . . . . 0.0 111.491 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.45 -42.22 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.684 171.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 C-N-CA 124.848 1.213 . . . . 0.0 111.846 170.188 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 CA--C 1.548 0.876 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.97 -55.62 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 125.614 1.566 . . . . 0.0 114.874 -171.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.94 -27.85 62.09 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.332 1.053 . . . . 0.0 111.568 177.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mt -69.54 -40.91 80.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.514 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.479 176.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -66.02 -42.44 89.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.385 1.448 . . . . 0.0 111.863 -174.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.6 p -69.21 -32.89 72.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -80.76 -23.69 39.17 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . . . -73.64 -5.03 37.91 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.415 1.578 . . . . 0.0 113.212 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.45 -37.17 13.34 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 127.584 2.353 . . . . 0.0 110.831 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -65.18 -38.63 91.12 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 117.312 -1.327 . . . . 0.0 113.16 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 2.0 p90 -56.6 -39.92 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.138 1.335 . . . . 0.0 111.21 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 111.481 -175.011 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 119.701 -0.19 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -71.46 -42.67 67.87 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.316 -0.865 . . . . 0.0 112.863 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.02 62.25 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.654 -0.654 . . . . 0.0 112.709 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.18 -38.38 24.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.704 0.802 . . . . 0.0 110.32 173.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.04 70.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.31 0.644 . . . . 0.0 111.441 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.71 -26.33 33.05 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.599 1.16 . . . . 0.0 113.645 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.29 -37.77 18.22 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.752 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.61 -39.1 79.5 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.404 -0.81 . . . . 0.0 110.617 173.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.78 -24.79 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.829 1.252 . . . . 0.0 112.491 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.57 -46.27 17.63 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 123.762 0.825 . . . . 0.0 111.432 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.64 -22.0 23.7 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 123.477 0.56 . . . . 0.0 113.55 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.96 -29.13 69.47 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.451 1.126 . . . . 0.0 112.559 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.41 -30.09 19.74 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.138 1.775 . . . . 0.0 113.118 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.27 -58.47 3.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.035 -1.04 . . . . 0.0 110.42 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -91.7 -33.18 15.15 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -169.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 60.05 100.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.498 2.319 . . . . 0.0 115.934 -169.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.78 60.84 3.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.71 2.404 . . . . 0.0 111.885 169.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.53 79.63 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.547 1.539 . . . . 0.0 109.648 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.87 -28.21 69.39 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 119.854 -1.778 . . . . 0.0 110.801 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -59.35 0.59 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.285 2.234 . . . . 0.0 114.06 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -117.18 -35.46 4.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.915 1.686 . . . . 0.0 112.561 169.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.61 -32.7 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.339 -0.85 . . . . 0.0 113.004 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -35.8 55.56 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -14.21 60.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.263 1.825 . . . . 0.0 113.062 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -86.6 -54.28 4.48 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.557 -0.714 . . . . 0.0 110.77 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.7 -42.49 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.37 0.668 . . . . 0.0 112.132 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 C-N-CA 124.252 0.929 . . . . 0.0 113.888 177.774 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.5 t . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.46 -44.66 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 121.103 1.774 . . . . 0.0 115.127 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.18 -37.85 88.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.429 1.891 . . . . 0.0 111.166 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.29 -31.8 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 123.928 0.891 . . . . 0.0 111.508 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -64.68 -47.69 77.5 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.811 1.187 . . . . 0.0 112.483 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 p -70.3 -35.97 74.02 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -32.77 66.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.181 -0.914 . . . . 0.0 113.101 171.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.467 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.62 -53.96 47.74 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.506 1.048 . . . . 0.0 109.803 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -46.89 -27.08 1.13 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -61.51 -36.21 79.87 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 119.822 -1.799 . . . . 0.0 113.659 171.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -41.68 90.13 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.766 1.166 . . . . 0.0 110.018 173.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.2 1.0 . . . . 0.0 112.261 -177.379 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -66.92 -2.62 5.47 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.53 -17.86 13.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.03 1.732 . . . . 0.0 112.503 167.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.11 -30.6 39.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.568 1.147 . . . . 0.0 109.848 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -34.1 67.6 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.195 0.998 . . . . 0.0 112.086 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.48 -29.07 58.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.49 1.116 . . . . 0.0 112.406 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.32 -37.75 56.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.79 0.836 . . . . 0.0 112.446 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -39.41 77.51 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.801 -1.187 . . . . 0.0 111.005 172.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.26 -17.36 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.557 1.543 . . . . 0.0 112.232 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -81.0 -49.3 11.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 120.858 -1.151 . . . . 0.0 112.291 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.41 -21.46 34.1 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.148 0.88 . . . . 0.0 112.803 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.51 -34.03 76.07 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.802 0.801 . . . . 0.0 111.708 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.61 -5.45 55.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.629 1.971 . . . . 0.0 114.045 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -101.91 -54.76 2.65 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.356 1.062 . . . . 0.0 111.85 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -95.5 -22.88 17.37 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.596 1.558 . . . . 0.0 113.967 -171.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 m80 56.23 84.49 0.08 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.49 1.916 . . . . 0.0 114.533 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tptp 70.06 48.24 0.54 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.69 1.596 . . . . 0.0 113.441 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -152.97 90.18 1.43 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.972 1.709 . . . . 0.0 109.736 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.51 -22.34 65.45 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.657 -1.277 . . . . 0.0 112.247 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -3.3 4.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.27 2.628 . . . . 0.0 113.612 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -116.58 -31.21 5.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.772 1.229 . . . . 0.0 112.336 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.4 mt -52.69 -38.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.072 0.949 . . . . 0.0 112.791 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -32.9 51.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.32 -22.66 54.69 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.601 1.16 . . . . 0.0 113.249 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -79.21 -49.84 11.9 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.403 -0.811 . . . . 0.0 109.917 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.88 -43.41 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.594 173.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.232 0 C-N-CA 125.402 1.477 . . . . 0.0 113.875 171.305 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.87 -52.14 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.424 1.09 . . . . 0.0 113.271 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -29.92 60.9 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.801 1.182 . . . . 0.0 112.261 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.73 -40.52 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.571 0.749 . . . . 0.0 110.679 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -59.1 -43.86 91.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.883 0.873 . . . . 0.0 112.198 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -57.56 -53.27 60.07 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.932 0.893 . . . . 0.0 111.432 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -38.46 84.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.628 0.771 . . . . 0.0 112.773 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.08 57.68 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -83.32 -28.57 28.96 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 119.702 -1.874 . . . . 0.0 111.422 165.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -74.51 -36.18 63.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -54.34 -36.07 63.41 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.256 0.934 . . . . 0.0 111.713 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 124.18 0.992 . . . . 0.0 112.07 -176.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.206 0.051 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -72.13 -1.51 15.16 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.12 13.89 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.116 1.366 . . . . 0.0 111.694 168.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -85.54 -27.98 25.21 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 120.658 -1.277 . . . . 0.0 111.363 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.08 51.68 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.579 -0.701 . . . . 0.0 110.802 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.88 -26.89 62.72 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.564 1.546 . . . . 0.0 113.607 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -76.05 -45.34 34.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 127.558 2.343 . . . . 0.0 111.987 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.73 -39.07 76.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.324 0.65 . . . . 0.0 110.249 177.739 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.73 -21.38 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.221 1.008 . . . . 0.0 112.313 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.47 -47.74 25.81 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.615 -1.303 . . . . 0.0 111.276 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.49 -22.13 30.27 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-O 119.623 -0.543 . . . . 0.0 113.396 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.33 -27.9 66.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.81 1.305 . . . . 0.0 112.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.02 24.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.783 1.633 . . . . 0.0 113.638 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -87.2 -56.36 3.41 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.143 0.883 . . . . 0.0 111.953 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -94.82 -30.24 14.32 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.613 1.565 . . . . 0.0 113.881 -173.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 t60 50.87 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.155 2.182 . . . . 0.0 115.379 -169.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.0 56.88 6.52 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.162 2.185 . . . . 0.0 112.295 170.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -153.83 80.23 1.15 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.77 1.271 . . . . 0.0 109.628 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -65.35 -27.73 68.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.596 -1.315 . . . . 0.0 111.482 -169.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -56.88 -5.47 0.24 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.074 2.149 . . . . 0.0 114.426 171.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -115.69 -29.74 6.35 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.293 1.406 . . . . 0.0 112.575 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.44 -35.77 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.663 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -25.15 64.49 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.66 -39.12 64.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.382 0.673 . . . . 0.0 112.494 171.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -68.84 -41.05 79.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.246 1.022 . . . . 0.0 113.177 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.12 -19.49 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 126.151 1.78 . . . . 0.0 113.794 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 N-CA-C 116.509 1.363 . . . . 0.0 116.509 170.278 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.26 -41.57 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -168.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -86.45 -29.98 22.4 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.043 1.737 . . . . 0.0 111.879 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -64.25 -31.92 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.816 0.846 . . . . 0.0 111.106 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -56.78 -49.13 76.24 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.156 1.382 . . . . 0.0 113.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 p -78.12 -35.83 48.62 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -38.74 91.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.46 0.704 . . . . 0.0 111.697 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.77 -59.86 3.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.262 0.625 . . . . 0.0 111.365 173.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -50.67 -16.73 0.42 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -66.1 -36.39 83.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 120.216 1.371 . . . . 0.0 112.58 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -43.42 77.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.652 1.115 . . . . 0.0 109.706 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 t80 . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 125.314 1.446 . . . . 0.0 113.206 -174.818 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 119.719 -0.182 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.58 -45.58 82.7 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.785 -1.197 . . . . 0.0 112.555 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -18.53 64.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -84.22 -39.15 19.66 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.702 -1.249 . . . . 0.0 110.795 171.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -42.18 79.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.116 -0.99 . . . . 0.0 111.417 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -9.87 1.57 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.774 1.63 . . . . 0.0 115.093 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -100.38 -34.99 9.74 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.965 1.306 . . . . 0.0 112.284 169.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -60.33 -39.92 88.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.387 -1.445 . . . . 0.0 110.494 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.5 -13.81 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.745 1.218 . . . . 0.0 113.509 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.9 -47.9 9.23 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.445 1.498 . . . . 0.0 111.413 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.12 -19.99 18.61 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.605 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.39 -40.64 95.1 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.902 1.351 . . . . 0.0 111.072 172.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.78 58.94 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.529 1.532 . . . . 0.0 113.894 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.7 mt -86.71 -55.21 3.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.996 1.318 . . . . 0.0 111.762 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -96.47 -24.73 15.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.413 1.485 . . . . 0.0 113.825 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 59.74 85.56 0.1 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.194 1.398 . . . . 0.0 113.697 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? 57.39 58.4 3.86 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.634 1.574 . . . . 0.0 111.828 173.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -155.72 85.28 1.04 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 123.609 1.671 . . . . 0.0 109.546 -169.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -67.14 -26.37 66.63 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.462 -1.399 . . . . 0.0 111.401 -171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -57.24 -2.85 0.12 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.929 2.092 . . . . 0.0 114.736 169.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -121.27 -30.57 4.27 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.621 1.1 . . . . 0.0 112.491 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.5 mt -54.24 -36.84 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -27.33 65.46 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.51 -49.06 72.81 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.338 1.055 . . . . 0.0 110.972 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -72.18 -40.62 67.8 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.896 1.278 . . . . 0.0 111.636 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mm -65.83 -15.25 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.411 1.884 . . . . 0.0 113.698 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.415 0 C-N-CA 125.249 1.404 . . . . 0.0 115.999 168.832 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.5 t -50.42 -53.91 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 120.082 1.31 . . . . 0.0 113.515 -171.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.551 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.03 -34.44 78.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.502 1.921 . . . . 0.0 112.517 175.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.56 -35.45 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.223 -0.923 . . . . 0.0 111.206 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.76 -51.68 68.57 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.277 0.631 . . . . 0.0 112.318 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -71.81 -30.49 65.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.71 0.804 . . . . 0.0 113.073 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -37.84 43.96 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.1 -56.21 15.9 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 124.198 0.999 . . . . 0.0 110.292 174.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -45.69 -23.06 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -68.63 -34.76 76.29 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.0 1.273 . . . . 0.0 113.762 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.98 -42.46 85.14 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.451 1.478 . . . . 0.0 109.915 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.0 t80 . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 124.131 0.973 . . . . 0.0 112.935 -172.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.05 -5.16 16.11 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.29 -21.75 13.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 0.0 112.455 168.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.31 -31.7 26.72 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.196 -0.94 . . . . 0.0 110.808 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -36.82 64.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 111.018 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.48 45.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.997 1.319 . . . . 0.0 113.058 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.03 -36.16 61.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.54 1.136 . . . . 0.0 113.465 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.14 79.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.407 0.683 . . . . 0.0 110.306 172.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.4 t -67.52 -13.76 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.391 1.476 . . . . 0.0 112.495 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.81 -47.83 9.35 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.332 -1.48 . . . . 0.0 112.022 173.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -22.4 21.58 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-N 118.429 0.559 . . . . 0.0 113.531 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.82 -30.41 71.51 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.319 1.06 . . . . 0.0 112.335 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 -14.26 30.58 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.485 1.914 . . . . 0.0 114.153 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.0 mt -94.5 -51.73 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.343 1.057 . . . . 0.0 111.587 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.03 -29.12 14.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.238 1.415 . . . . 0.0 113.385 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 55.3 86.48 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.987 1.315 . . . . 0.0 113.354 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm 60.1 70.98 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.143 1.777 . . . . 0.0 111.02 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -161.47 80.76 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.576 1.55 . . . . 0.0 110.688 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -65.97 -31.5 72.45 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 120.125 -1.609 . . . . 0.0 111.331 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -1.93 0.19 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.518 2.727 . . . . 0.0 114.371 170.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -111.25 -34.9 6.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.025 1.33 . . . . 0.0 111.536 166.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.83 -33.8 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.504 1.122 . . . . 0.0 113.257 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -27.09 62.2 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.27 -22.47 44.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.474 1.109 . . . . 0.0 113.921 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -81.52 -48.33 11.96 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.384 0.612 . . . . 0.0 109.872 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.82 -38.1 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.516 0.726 . . . . 0.0 111.632 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.569 0 C-N-CA 124.84 1.209 . . . . 0.0 115.674 -179.086 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.12 -50.17 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.436 1.471 . . . . 0.0 113.392 -170.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.53 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.51 -34.27 69.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.283 1.433 . . . . 0.0 112.321 174.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.16 -39.46 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.079 0.952 . . . . 0.0 110.805 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.8 -49.62 72.7 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.136 1.374 . . . . 0.0 111.317 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -67.1 -40.75 86.97 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.384 1.074 . . . . 0.0 112.411 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -36.18 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 172.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.88 -3.83 21.17 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.46 -1.4 . . . . 0.0 114.439 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -88.98 -27.85 20.62 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 126.44 1.896 . . . . 0.0 111.928 165.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -68.27 -43.69 77.2 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.767 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -54.09 -37.86 64.7 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.948 0.795 . . . . 0.0 111.227 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 125.38 1.472 . . . . 0.0 111.979 -177.185 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -72.46 23.2 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.762 1.625 . . . . 0.0 114.38 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.26 -17.27 0.92 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.666 1.987 . . . . 0.0 112.852 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.95 -39.94 14.32 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.033 0.933 . . . . 0.0 109.553 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.12 78.89 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.616 -0.677 . . . . 0.0 111.748 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -11.4 1.84 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.252 1.821 . . . . 0.0 114.878 173.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -90.07 -41.64 11.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.14 1.776 . . . . 0.0 111.448 171.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.07 -39.48 75.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.004 -1.06 . . . . 0.0 110.742 172.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.63 -12.87 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.09 2.156 . . . . 0.0 113.351 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.98 -48.5 6.95 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.035 1.334 . . . . 0.0 112.116 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.84 -20.79 27.42 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.427 0.558 . . . . 0.0 113.581 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -61.98 -33.04 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.323 1.061 . . . . 0.0 112.004 172.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.98 -6.52 55.56 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.423 1.889 . . . . 0.0 114.524 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -105.26 -53.43 2.66 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.119 1.368 . . . . 0.0 112.224 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -95.96 -22.46 17.39 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.638 1.175 . . . . 0.0 113.598 -174.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 56.89 82.5 0.12 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.695 1.998 . . . . 0.0 113.768 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HE2' ' CZ2' ' A' ' 30' ' ' TRP . 5.3 tmtt? 57.45 66.33 1.17 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.5 2.32 . . . . 0.0 111.978 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -155.37 79.47 1.03 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.282 1.433 . . . . 0.0 108.075 -170.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CZ2' ' HE2' ' A' ' 28' ' ' LYS . 3.5 m95 -65.57 -29.68 70.33 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.648 -1.283 . . . . 0.0 110.222 -171.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -58.36 5.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 129.361 3.065 . . . . 0.0 114.954 170.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -124.69 -34.59 2.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.952 1.701 . . . . 0.0 112.595 168.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.3 mt -54.74 -38.28 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.409 1.004 . . . . 0.0 112.969 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -33.01 22.02 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -76.39 -24.09 54.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.788 1.235 . . . . 0.0 113.501 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -81.28 -43.42 19.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.997 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.36 -39.71 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.529 1.132 . . . . 0.0 110.23 170.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 C-N-CA 124.089 0.852 . . . . 0.0 113.984 169.451 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.48 -48.95 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.946 -1.096 . . . . 0.0 113.562 -169.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -35.91 81.02 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 111.801 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.1 -33.44 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -58.15 -37.15 74.1 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.987 1.267 . . . . 0.0 112.187 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -68.97 -51.43 39.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.686 1.995 . . . . 0.0 111.986 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -31.12 34.76 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.741 -0.6 . . . . 0.0 112.506 -177.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -70.51 -6.12 33.88 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -87.3 -32.65 19.56 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.482 -1.386 . . . . 0.0 110.682 164.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -67.84 -34.7 77.22 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 117.378 -1.296 . . . . 0.0 114.385 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.43 -41.5 72.87 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.108 1.322 . . . . 0.0 110.935 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 124.307 1.043 . . . . 0.0 112.617 -173.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -73.65 -27.08 61.07 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.097 -1.002 . . . . 0.0 112.936 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.98 -23.71 52.3 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.206 1.003 . . . . 0.0 113.118 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.21 -39.82 16.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.193 0.906 . . . . 0.0 110.106 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.66 76.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.259 -0.901 . . . . 0.0 112.031 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.46 -16.02 8.42 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.1 -45.53 13.87 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.361 1.437 . . . . 0.0 112.09 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.13 -38.15 73.05 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.234 -0.916 . . . . 0.0 111.678 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.5 -19.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.496 1.119 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -81.23 -43.18 19.62 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.943 -1.098 . . . . 0.0 112.049 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.35 -20.51 29.84 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.177 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.78 -17.64 62.78 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.898 1.349 . . . . 0.0 113.313 173.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.11 -23.47 17.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 113.214 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.93 -57.27 3.1 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.342 1.057 . . . . 0.0 111.952 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -98.7 -8.93 25.33 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.601 1.56 . . . . 0.0 113.35 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m80 67.69 -56.62 0.47 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.437 2.695 . . . . 0.0 116.232 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -163.83 64.61 0.16 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.185 1.394 . . . . 0.0 111.55 -173.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -155.98 95.06 1.59 Allowed 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.843 1.257 . . . . 0.0 109.901 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -65.81 -25.17 67.11 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 120.805 -1.184 . . . . 0.0 110.455 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -59.16 -5.3 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.738 1.615 . . . . 0.0 113.783 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -116.6 -30.61 5.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.906 1.683 . . . . 0.0 112.185 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.3 mt -57.74 -29.67 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.679 -1.263 . . . . 0.0 113.025 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -28.71 62.35 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.54 -34.19 69.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.781 1.633 . . . . 0.0 112.642 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -76.57 -44.93 32.62 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.64 -0.663 . . . . 0.0 110.621 -171.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.5 -23.71 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 124.185 0.994 . . . . 0.0 111.606 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.51 0 O-C-N 120.614 -1.303 . . . . 0.0 114.518 -178.84 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.2 -43.9 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -170.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.487 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -70.52 -41.13 72.99 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.361 1.864 . . . . 0.0 112.728 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.38 -31.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.685 0.794 . . . . 0.0 111.982 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -62.47 -45.28 93.76 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.856 0.753 . . . . 0.0 112.983 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 m -77.97 -37.25 47.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.467 1.107 . . . . 0.0 112.989 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -29.92 62.69 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -54.44 -56.84 14.61 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 119.417 1.008 . . . . 0.0 109.805 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -48.04 -28.16 2.67 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -61.17 -36.66 80.43 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 117.452 -1.261 . . . . 0.0 112.866 171.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -39.44 70.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.56 1.527 . . . . 0.0 111.227 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 124.364 1.066 . . . . 0.0 112.231 -178.526 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.12 -37.17 71.59 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 120.518 1.508 . . . . 0.0 114.257 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.23 66.2 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.593 -0.692 . . . . 0.0 112.595 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.91 -41.55 13.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.413 1.085 . . . . 0.0 111.168 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -37.36 72.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.17 -27.22 13.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.877 1.271 . . . . 0.0 113.917 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -89.98 -32.33 16.84 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.276 1.43 . . . . 0.0 113.244 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.53 -39.96 81.62 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.338 -0.851 . . . . 0.0 111.176 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -62.82 -19.66 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -85.78 -44.09 12.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.131 -0.981 . . . . 0.0 113.247 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.95 -18.74 34.47 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 118.983 0.81 . . . . 0.0 113.438 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.41 -37.08 84.43 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.959 0.879 . . . . 0.0 111.33 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.53 60.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.901 1.28 . . . . 0.0 113.391 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -83.89 -54.86 4.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 111.822 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.53 -26.86 19.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.393 1.477 . . . . 0.0 113.232 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 t60 51.11 98.71 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.006 2.123 . . . . 0.0 114.686 -170.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? 57.35 56.53 5.03 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.79 1.636 . . . . 0.0 112.182 168.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.89 81.72 1.21 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.347 1.059 . . . . 0.0 110.562 -172.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -62.37 -26.48 68.48 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.951 -1.093 . . . . 0.0 112.284 -170.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.16 3.3 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 128.841 2.856 . . . . 0.0 115.076 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -120.6 -33.05 3.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.98 1.312 . . . . 0.0 111.548 169.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -56.09 -36.71 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.837 0.855 . . . . 0.0 112.767 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -35.35 16.81 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.74 -21.52 37.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -80.48 -38.94 28.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.125 0.964 . . . . 0.0 112.008 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.67 -34.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.066 1.346 . . . . 0.0 113.544 170.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 CA-C-N 119.192 0.906 . . . . 0.0 114.033 -179.738 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -52.59 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 124.894 1.278 . . . . 0.0 114.362 -172.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.48 -34.04 69.83 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.768 1.227 . . . . 0.0 110.661 175.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.15 -40.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.072 0.949 . . . . 0.0 110.687 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -63.24 -38.31 90.66 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.345 1.458 . . . . 0.0 112.876 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -75.03 -47.62 28.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.872 2.469 . . . . 0.0 112.845 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -33.77 74.55 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.758 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.14 -58.27 6.55 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 123.718 0.807 . . . . 0.0 110.32 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -48.1 -24.82 1.22 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.97 -29.31 69.69 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.941 1.246 . . . . 0.0 114.278 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.86 72.27 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.449 1.477 . . . . 0.0 112.207 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.361 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -69.79 -5.56 26.29 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.85 -22.67 17.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.062 -1.024 . . . . 0.0 111.846 167.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.88 -36.02 14.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.697 1.599 . . . . 0.0 111.126 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -33.05 65.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.518 1.527 . . . . 0.0 111.286 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.87 -27.62 44.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.754 1.222 . . . . 0.0 113.034 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.91 -36.16 49.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.249 0.62 . . . . 0.0 110.831 170.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.45 -19.58 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.976 0.911 . . . . 0.0 112.581 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -82.35 -42.12 19.12 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.232 -0.918 . . . . 0.0 112.731 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.88 -19.25 49.56 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-O 119.435 -0.647 . . . . 0.0 112.6 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.25 -13.0 61.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.192 1.496 . . . . 0.0 112.986 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.16 -4.86 25.16 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.483 1.913 . . . . 0.0 114.042 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -107.66 -55.42 2.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.975 1.31 . . . . 0.0 111.775 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -102.23 -10.7 19.33 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.317 2.247 . . . . 0.0 113.192 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 m80 68.32 -61.52 0.39 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.83 2.452 . . . . 0.0 115.994 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.76 58.43 0.43 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.943 1.297 . . . . 0.0 111.312 -169.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -156.19 89.77 1.16 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 123.073 1.416 . . . . 0.0 110.192 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -65.72 -25.62 67.38 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.105 -0.997 . . . . 0.0 111.266 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -4.5 2.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.495 1.918 . . . . 0.0 113.601 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -114.54 -32.4 5.9 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.673 1.124 . . . . 0.0 112.064 171.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.03 -30.75 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.906 1.282 . . . . 0.0 112.412 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -31.91 28.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 169.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.02 -16.03 51.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.136 0.974 . . . . 0.0 113.55 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -82.44 -47.99 11.6 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.55 -0.719 . . . . 0.0 111.017 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.53 -32.45 36.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.313 1.045 . . . . 0.0 112.152 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.216 0 C-N-CA 124.648 1.118 . . . . 0.0 114.677 -175.598 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.66 -38.48 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -171.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.483 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.41 -31.37 69.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.176 1.791 . . . . 0.0 113.137 171.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -69.03 -39.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.792 -1.192 . . . . 0.0 110.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -54.23 -49.91 68.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.57 1.548 . . . . 0.0 112.464 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.4 p -75.97 -36.13 59.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.9 1.28 . . . . 0.0 113.333 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -32.32 70.35 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 172.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -56.45 -55.4 34.07 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.103 0.865 . . . . 0.0 110.655 -177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -44.09 -29.22 0.58 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -63.56 -32.43 73.89 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.727 -1.233 . . . . 0.0 113.879 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -41.63 89.14 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.146 1.339 . . . . 0.0 110.748 171.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 CA--C 1.539 0.549 0 C-N-CA 125.05 1.34 . . . . 0.0 112.044 -175.502 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -59.09 -12.54 5.05 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.84 5.33 3.63 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.305 1.842 . . . . 0.0 113.523 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.08 -29.91 28.41 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.837 -1.165 . . . . 0.0 110.011 169.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -55.03 -34.22 63.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.66 -0.65 . . . . 0.0 111.135 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -11.62 10.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.054 1.342 . . . . 0.0 114.241 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -82.92 -43.02 16.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.311 1.445 . . . . 0.0 110.826 168.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.98 -36.74 68.2 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.183 -0.948 . . . . 0.0 111.087 173.291 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -66.42 -12.7 15.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.726 1.611 . . . . 0.0 112.699 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.94 -47.96 8.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.621 -1.299 . . . . 0.0 112.035 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.68 -18.1 15.9 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.806 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.76 -39.29 93.37 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.976 1.388 . . . . 0.0 111.227 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.09 60.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.215 1.406 . . . . 0.0 113.246 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.52 -62.65 1.5 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.547 1.139 . . . . 0.0 111.086 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -87.83 -25.12 23.48 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.119 0.968 . . . . 0.0 113.609 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t60 57.17 88.51 0.05 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.772 2.029 . . . . 0.0 114.195 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? 58.78 61.74 2.1 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.928 2.091 . . . . 0.0 111.847 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -152.38 86.84 1.29 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 123.06 1.409 . . . . 0.0 109.977 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -64.69 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.723 1.209 . . . . 0.0 110.802 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -57.66 -5.31 0.36 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.684 1.993 . . . . 0.0 114.055 168.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.66 -33.33 5.55 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.837 1.198 . . . . 0.0 112.357 169.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.27 -34.23 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.671 0.789 . . . . 0.0 112.79 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -27.3 65.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -70.77 -33.39 70.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.052 0.941 . . . . 0.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -77.27 -41.91 39.08 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 111.147 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.2 -31.46 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.063 169.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.146 0 C-N-CA 127.129 2.299 . . . . 0.0 114.857 169.694 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.05 -47.89 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.457 -1.402 . . . . 0.0 113.518 -170.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.98 -34.66 78.24 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.354 -0.841 . . . . 0.0 111.908 175.309 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.7 -37.95 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.778 0.831 . . . . 0.0 110.736 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 tpt85 -60.61 -44.57 96.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -174.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -66.91 -48.63 68.11 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.177 0.923 . . . . 0.0 111.263 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.37 -34.32 74.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -55.53 -57.25 12.69 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.138 0.881 . . . . 0.0 110.558 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -53.16 -20.12 3.59 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 119.909 -1.744 . . . . 0.0 115.122 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -69.41 -33.92 73.72 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.331 -1.319 . . . . 0.0 112.929 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -44.59 94.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.933 1.697 . . . . 0.0 109.863 169.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.9 t80 . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 124.682 1.193 . . . . 0.0 112.176 -175.019 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.676 0.275 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -63.21 -26.17 68.67 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.23 -29.21 48.09 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.549 -0.719 . . . . 0.0 112.264 169.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -36.55 28.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.9 0.88 . . . . 0.0 110.848 -177.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -39.35 69.92 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.762 0.825 . . . . 0.0 111.239 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -14.87 9.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.405 1.482 . . . . 0.0 114.327 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -92.19 -41.93 10.17 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 125.814 1.646 . . . . 0.0 113.366 172.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.41 -40.53 82.7 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.959 -1.088 . . . . 0.0 111.649 178.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.89 -14.91 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.01 -44.23 16.93 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.96 -19.5 22.72 Favored Glycine 0 CA--C 1.543 1.816 0 O-C-N 121.832 -0.543 . . . . 0.0 113.35 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.76 -23.73 64.35 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.297 -1.12 . . . . 0.0 113.103 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.12 -34.69 13.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.065 1.746 . . . . 0.0 113.439 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.83 -59.72 2.76 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.944 -1.097 . . . . 0.0 110.063 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.08 -40.98 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.566 1.546 . . . . 0.0 111.795 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.5 t60 64.07 95.69 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.336 1.854 . . . . 0.0 114.592 -171.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.01 64.13 1.47 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.798 2.439 . . . . 0.0 112.354 173.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -159.81 86.54 0.78 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.586 1.184 . . . . 0.0 110.484 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.47 -24.67 63.82 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.706 -1.246 . . . . 0.0 111.284 -171.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -61.35 0.55 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.529 2.332 . . . . 0.0 114.504 171.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -120.83 -35.99 3.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 111.893 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.51 -36.86 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.934 0.894 . . . . 0.0 113.298 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -25.56 65.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -77.41 -28.89 52.8 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -74.61 -43.0 57.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.514 0.673 . . . . 0.0 111.353 -174.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.58 -45.5 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.302 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.236 0 CA-C-N 118.839 0.745 . . . . 0.0 114.497 170.196 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.7 t . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.7 t -52.87 -55.07 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.568 1.147 . . . . 0.0 114.032 -171.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.94 -35.21 80.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.782 2.033 . . . . 0.0 112.388 176.435 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mt -70.49 -35.41 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.442 -0.786 . . . . 0.0 111.013 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -65.31 -43.44 91.03 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.515 0.726 . . . . 0.0 112.501 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.5 p -70.09 -38.56 75.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.691 0.796 . . . . 0.0 112.479 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -33.29 64.12 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.94 -53.07 57.82 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 119.288 0.949 . . . . 0.0 111.086 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -45.76 -27.91 0.93 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.64 -36.81 84.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.688 1.131 . . . . 0.0 113.002 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -46.13 83.07 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.268 1.395 . . . . 0.0 109.485 171.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 CA--C 1.532 0.288 0 C-N-CA 125.6 1.56 . . . . 0.0 112.158 -173.069 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.36 -37.6 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.335 1.88 . . . . 0.0 114.759 -169.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -18.29 64.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.606 -1.308 . . . . 0.0 113.303 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -89.28 -47.0 8.35 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.216 -0.927 . . . . 0.0 110.633 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -35.27 72.82 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.95 1.3 . . . . 0.0 111.362 -176.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.03 34.02 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 117.88 -1.057 . . . . 0.0 113.8 175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.13 -32.98 29.87 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.358 1.436 . . . . 0.0 113.509 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.51 -39.73 77.17 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.562 -0.711 . . . . 0.0 110.235 169.24 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.22 -17.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.778 1.231 . . . . 0.0 112.668 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -84.64 -45.65 12.28 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.287 1.035 . . . . 0.0 112.327 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 -16.85 29.66 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 113.608 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.99 -41.53 96.67 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.495 1.147 . . . . 0.0 111.324 170.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.0 61.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.327 1.451 . . . . 0.0 113.032 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.52 -66.11 0.91 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.072 0.851 . . . . 0.0 110.708 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.24 -19.39 36.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.88 -170.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 t60 59.54 80.31 0.2 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.295 1.438 . . . . 0.0 113.782 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? 61.38 60.42 1.71 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.013 2.125 . . . . 0.0 111.761 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -151.86 92.2 1.71 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.226 1.41 . . . . 0.0 110.077 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -68.39 -28.13 66.83 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.049 -1.032 . . . . 0.0 111.146 -170.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -62.26 4.06 0.15 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.716 2.406 . . . . 0.0 114.586 171.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -123.03 -34.34 3.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.767 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mt -52.54 -35.7 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.31 -0.869 . . . . 0.0 112.988 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -30.15 36.2 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -88.47 -14.61 37.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.913 1.285 . . . . 0.0 113.678 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -79.56 -46.09 17.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.757 0.823 . . . . 0.0 111.218 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.27 -44.85 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 124.262 1.025 . . . . 0.0 110.711 170.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.188 0 C-N-CA 125.034 1.302 . . . . 0.0 115.433 169.316 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.5 t . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.81 -57.54 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 124.781 1.232 . . . . 0.0 113.513 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.44 -33.6 74.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.078 1.751 . . . . 0.0 112.286 175.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.42 -41.23 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 119.2 0.909 . . . . 0.0 111.236 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -63.59 -44.69 93.26 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.663 1.185 . . . . 0.0 110.391 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.5 m -67.11 -37.82 84.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.863 -1.517 . . . . 0.0 112.491 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.98 -31.58 50.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 171.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -56.42 -54.47 45.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.519 1.054 . . . . 0.0 109.989 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.93 -11.2 0.59 Allowed 'General case' 0 CA--C 1.559 1.307 0 O-C-N 119.53 -1.981 . . . . 0.0 116.02 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -80.27 -30.64 38.4 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.124 1.369 . . . . 0.0 113.429 168.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -39.69 80.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.759 1.618 . . . . 0.0 109.942 169.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 t80 . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 123.918 0.887 . . . . 0.0 112.845 -172.782 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.98 -31.35 72.21 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.111 1.323 . . . . 0.0 113.325 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.58 -18.6 61.05 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.996 -1.065 . . . . 0.0 113.349 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.24 -38.61 13.31 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -36.52 80.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.967 -1.083 . . . . 0.0 111.706 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.3 -9.4 2.23 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -95.19 -44.95 7.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.664 1.585 . . . . 0.0 112.251 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.52 -40.06 71.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.546 0.738 . . . . 0.0 111.927 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.53 -18.54 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.304 1.441 . . . . 0.0 112.557 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.24 -46.71 10.78 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.576 1.151 . . . . 0.0 111.67 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.54 -20.17 37.22 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.897 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -36.71 79.88 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.183 0.991 . . . . 0.0 111.804 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.54 44.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.761 1.224 . . . . 0.0 113.254 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.52 -57.27 3.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.933 1.293 . . . . 0.0 111.677 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.41 -22.99 21.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 52.64 89.0 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.659 1.984 . . . . 0.0 113.301 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.0 tptp 56.66 66.32 1.21 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.43 1.892 . . . . 0.0 110.524 171.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -161.33 83.98 0.64 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.055 1.742 . . . . 0.0 110.075 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -64.62 -26.68 68.5 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.167 -1.583 . . . . 0.0 112.304 -172.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.48 -2.26 0.31 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 128.761 2.824 . . . . 0.0 114.263 173.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -118.61 -28.48 5.65 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.272 1.029 . . . . 0.0 112.654 170.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.16 -34.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.264 -0.898 . . . . 0.0 112.217 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -23.08 46.33 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 175.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.71 -29.91 51.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.635 1.174 . . . . 0.0 113.681 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -82.4 -40.05 21.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.032 0.92 . . . . 0.0 112.117 -169.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.66 -34.41 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.634 169.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.646 0 C-N-CA 124.18 0.895 . . . . 0.0 114.816 -172.617 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.37 -46.63 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-N 119.813 1.188 . . . . 0.0 113.293 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.99 -35.27 69.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.614 1.966 . . . . 0.0 114.096 175.661 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.93 -37.27 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 120.873 -1.142 . . . . 0.0 111.688 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -56.95 -47.7 80.06 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.348 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 p -74.78 -36.3 62.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.485 1.514 . . . . 0.0 113.5 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -32.24 61.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.808 0.731 . . . . 0.0 112.748 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.36 -52.19 60.03 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.64 0.776 . . . . 0.0 110.577 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -44.38 -30.57 0.86 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -65.81 -30.06 70.63 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.462 -1.399 . . . . 0.0 114.55 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -43.2 94.4 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 121.205 1.821 . . . . 0.0 110.44 169.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 126.794 2.038 . . . . 0.0 112.949 -171.563 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.21 -37.39 87.05 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.671 -1.268 . . . . 0.0 110.639 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -29.45 68.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.679 1.191 . . . . 0.0 113.587 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.71 -28.0 30.82 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.998 -1.064 . . . . 0.0 111.124 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -40.61 71.04 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.389 -0.82 . . . . 0.0 111.483 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -9.01 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.435 1.894 . . . . 0.0 115.049 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -95.18 -44.43 7.63 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.988 1.315 . . . . 0.0 112.138 171.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.94 -40.23 79.99 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.132 -0.98 . . . . 0.0 111.203 -179.279 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.23 -16.34 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.499 1.119 . . . . 0.0 113.608 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.77 -46.71 12.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.706 1.203 . . . . 0.0 111.784 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -19.71 30.28 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.096 -0.835 . . . . 0.0 113.333 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.49 -35.58 79.79 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.912 1.356 . . . . 0.0 111.804 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.34 -28.41 47.24 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.36 1.464 . . . . 0.0 113.493 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.39 -51.29 6.02 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.159 1.384 . . . . 0.0 112.326 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -99.41 -16.17 18.49 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.5 t60 53.9 79.0 0.14 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.629 1.572 . . . . 0.0 113.764 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? 58.2 73.16 0.48 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.981 2.112 . . . . 0.0 110.714 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -160.09 83.81 0.72 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 123.071 1.415 . . . . 0.0 110.154 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -66.7 -29.93 70.04 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.347 -1.471 . . . . 0.0 111.164 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.2 6.37 0.42 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.66 1.984 . . . . 0.0 113.768 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -118.35 -38.57 3.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.547 1.539 . . . . 0.0 111.173 166.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.74 -36.14 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.228 0.922 . . . . 0.0 112.684 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -33.54 47.4 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.83 -27.69 57.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.848 1.259 . . . . 0.0 111.815 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.87 -46.83 28.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.829 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.45 -51.54 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 117.38 -1.295 . . . . 0.0 112.884 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 120.369 2.907 . . . . 0.0 120.369 -168.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -50.15 -46.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.62 1.168 . . . . 0.0 113.525 -172.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.466 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -63.33 -35.86 81.79 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.93 1.292 . . . . 0.0 113.233 175.217 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mt -71.2 -34.4 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.273 -0.892 . . . . 0.0 110.52 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -61.86 -43.81 98.1 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.077 0.853 . . . . 0.0 113.13 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -77.61 -34.53 53.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.589 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -72.62 -32.27 65.79 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.892 1.223 . . . . 0.0 113.511 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -50.12 -51.51 42.59 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.811 0.844 . . . . 0.0 110.652 173.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 -26.99 1.73 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.78 -35.06 73.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.118 -1.614 . . . . 0.0 113.22 170.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -38.21 77.76 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.741 1.155 . . . . 0.0 110.515 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 124.678 1.191 . . . . 0.0 112.579 -177.223 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -69.78 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.933 -1.104 . . . . 0.0 113.211 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.51 -23.91 50.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.943 0.897 . . . . 0.0 113.092 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -87.37 -40.96 13.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.259 1.024 . . . . 0.0 110.262 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -36.73 74.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.299 -0.876 . . . . 0.0 111.994 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.43 -14.89 2.17 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.31 1.444 . . . . 0.0 114.33 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.68 -36.86 10.12 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.152 1.342 . . . . 0.0 113.082 172.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -39.14 74.45 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.55 -1.344 . . . . 0.0 112.164 174.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.45 -7.96 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.12 -49.26 7.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.876 1.271 . . . . 0.0 112.382 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.96 31.52 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-N 118.095 0.407 . . . . 0.0 113.32 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.13 -29.21 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.958 0.903 . . . . 0.0 112.744 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.84 -9.74 28.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.692 1.997 . . . . 0.0 113.942 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.95 -65.54 0.96 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -82.73 -26.37 32.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.641 1.176 . . . . 0.0 113.413 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 56.23 92.21 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.154 1.781 . . . . 0.0 113.794 -173.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? 57.82 62.7 2.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.705 2.002 . . . . 0.0 112.708 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -156.06 80.55 0.99 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.944 1.297 . . . . 0.0 109.708 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -64.29 -28.39 69.68 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.25 -1.531 . . . . 0.0 111.567 -171.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -56.69 -5.32 0.21 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.325 2.65 . . . . 0.0 114.604 170.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -117.26 -28.25 6.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.752 1.221 . . . . 0.0 112.667 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mt -59.29 -31.96 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.164 0.986 . . . . 0.0 112.31 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -29.78 47.32 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 172.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.77 -24.33 52.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -78.72 -47.29 17.17 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.088 -1.007 . . . . 0.0 110.776 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.97 -38.53 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 111.772 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 C-N-CA 124.72 1.152 . . . . 0.0 113.422 174.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -49.27 -53.06 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-N 120.798 1.636 . . . . 0.0 115.041 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.509 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.53 -34.45 77.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.804 1.241 . . . . 0.0 112.053 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.09 -40.32 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.377 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.6 ttp85 -66.97 -36.64 82.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.701 1.201 . . . . 0.0 112.248 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -47.29 73.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 113.103 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -25.49 39.12 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -176.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.43 31.2 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -50.86 -24.31 3.46 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -66.26 -36.51 83.17 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.645 -1.284 . . . . 0.0 112.549 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -38.46 72.79 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.866 1.666 . . . . 0.0 112.048 172.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 125.567 1.547 . . . . 0.0 111.29 -176.849 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.46 -22.76 64.56 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.972 -1.08 . . . . 0.0 113.296 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.54 -18.58 40.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 169.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -41.51 11.31 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.07 0.948 . . . . 0.0 109.235 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.07 81.95 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.286 -0.884 . . . . 0.0 111.434 176.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.35 -8.89 1.92 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.776 1.631 . . . . 0.0 114.888 172.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -100.4 -36.65 9.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.9 1.68 . . . . 0.0 112.578 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -39.93 69.05 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.363 -0.836 . . . . 0.0 110.664 169.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.82 -16.28 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 126.391 1.876 . . . . 0.0 114.098 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.65 -51.39 6.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.954 1.302 . . . . 0.0 111.388 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.64 -15.13 32.0 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.135 -0.814 . . . . 0.0 113.356 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.42 -45.61 88.11 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.579 1.19 . . . . 0.0 110.703 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.73 63.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.01 1.724 . . . . 0.0 113.432 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -79.91 -58.68 3.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.912 0.885 . . . . 0.0 111.004 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -88.71 -14.19 37.86 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 t60 63.03 74.1 0.44 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.288 1.035 . . . . 0.0 111.906 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HE2' ' CZ ' ' A' ' 52' ' ' TYR . 30.7 mmtp 55.11 63.51 2.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.474 2.31 . . . . 0.0 111.977 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -146.77 84.4 1.61 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.859 1.264 . . . . 0.0 108.328 -168.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -63.77 -32.69 74.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.129 1.372 . . . . 0.0 111.044 -169.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -58.24 -3.33 0.25 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.301 2.241 . . . . 0.0 113.807 170.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -116.75 -36.4 3.9 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.336 1.454 . . . . 0.0 112.116 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.2 mt -53.48 -38.19 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.973 0.909 . . . . 0.0 113.053 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.63 -32.72 52.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.88 -20.01 56.77 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.065 0.946 . . . . 0.0 113.265 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -78.63 -41.78 30.6 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.556 0.742 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.77 -40.76 61.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.719 0 N-CA-C 118.564 2.186 . . . . 0.0 118.564 -179.745 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -48.52 -47.13 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 125.613 1.565 . . . . 0.0 113.7 -174.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.5 -38.63 87.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.085 1.754 . . . . 0.0 112.667 176.28 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.3 mt -69.1 -34.64 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 121.44 -0.787 . . . . 0.0 110.728 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -59.95 -42.7 94.6 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 p -80.4 -43.84 20.36 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 113.217 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -28.58 65.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.405 1.457 . . . . 0.0 112.757 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.27 78.48 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.022 -1.049 . . . . 0.0 110.207 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.0 -20.0 3.1 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 119.998 -1.688 . . . . 0.0 114.9 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -73.68 -34.67 64.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.733 1.213 . . . . 0.0 113.752 169.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -54.39 -42.22 70.13 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.805 1.639 . . . . 0.0 110.521 171.57 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.0 t80 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.76 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.755 0.312 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -66.84 0.8 2.19 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.56 -16.25 5.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 113.229 169.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.76 -27.3 61.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.432 -1.418 . . . . 0.0 109.931 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -53.14 -33.22 51.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.324 1.049 . . . . 0.0 111.546 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -12.56 20.21 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 113.743 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -85.74 -39.15 17.49 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.956 1.702 . . . . 0.0 111.936 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.32 -40.0 70.64 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 121.083 -1.011 . . . . 0.0 110.677 169.634 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.45 -20.82 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.017 1.727 . . . . 0.0 112.751 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -82.97 -42.43 17.6 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.904 -1.122 . . . . 0.0 112.101 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.47 -20.78 52.55 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.024 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.16 -18.51 64.63 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.759 1.28 . . . . 0.0 112.689 173.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.9 -25.43 16.57 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.267 1.427 . . . . 0.0 113.571 170.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt -86.28 -51.05 6.5 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.992 1.317 . . . . 0.0 113.105 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -100.77 -4.83 27.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.647 1.579 . . . . 0.0 113.236 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.0 t60 68.92 -62.62 0.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.519 2.727 . . . . 0.0 115.221 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 70.81 0.3 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.562 1.545 . . . . 0.0 110.46 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -157.76 99.96 1.73 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.008 1.385 . . . . 0.0 110.537 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -64.37 -22.85 67.09 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.691 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -72.36 6.52 2.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.78 1.632 . . . . 0.0 113.288 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -124.45 -29.02 3.55 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.574 1.55 . . . . 0.0 112.318 170.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -56.12 -28.67 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.477 0.711 . . . . 0.0 112.61 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -34.56 60.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.27 -27.91 60.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.461 1.105 . . . . 0.0 113.717 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -78.56 -44.94 22.95 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.355 -0.84 . . . . 0.0 111.183 -170.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.92 -50.97 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.578 1.551 . . . . 0.0 110.361 169.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 C-N-CA 126.603 2.049 . . . . 0.0 114.299 176.26 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.353 0.8 OUTLIER . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.9 -40.0 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.927 1.694 . . . . 0.0 112.165 -175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.29 62.0 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.65 1.18 . . . . 0.0 112.473 174.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -64.55 -39.42 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.008 -1.057 . . . . 0.0 110.857 173.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -57.41 -46.63 83.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.432 1.093 . . . . 0.0 112.164 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.7 p -74.63 -40.71 61.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.643 1.177 . . . . 0.0 112.811 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.24 -35.48 79.65 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.967 173.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.32 -56.65 16.33 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.365 1.066 . . . . 0.0 110.813 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -43.74 -30.34 0.63 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.57 -37.12 86.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -43.85 78.87 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.365 1.439 . . . . 0.0 109.987 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 124.227 1.011 . . . . 0.0 113.08 -175.547 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -66.22 -24.32 66.58 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.88 64.73 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 112.238 169.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.92 -34.72 24.44 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.166 0.987 . . . . 0.0 110.902 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -36.11 68.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 111.652 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -16.95 3.62 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.451 1.5 . . . . 0.0 114.712 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -92.52 -39.46 11.36 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.796 1.18 . . . . 0.0 113.266 172.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -56.38 -39.99 73.86 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.256 -0.903 . . . . 0.0 111.843 176.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -65.52 -18.41 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -83.08 -43.7 15.99 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 123.898 0.879 . . . . 0.0 111.955 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.91 -23.28 14.86 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.69 -0.506 . . . . 0.0 113.238 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.78 -35.58 80.32 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.423 1.111 . . . . 0.0 111.665 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.61 -24.32 42.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.387 1.475 . . . . 0.0 114.506 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 mt -87.66 -42.61 12.54 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.461 1.104 . . . . 0.0 112.743 -176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.59 -16.03 12.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.814 1.245 . . . . 0.0 114.027 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 t60 56.15 67.4 1.01 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.863 1.265 . . . . 0.0 114.404 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.95 72.9 0.35 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.903 2.081 . . . . 0.0 112.235 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -159.6 86.27 0.79 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.671 1.588 . . . . 0.0 110.093 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -66.98 -27.38 67.39 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.028 -1.67 . . . . 0.0 111.498 -171.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -60.16 3.42 0.07 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.531 2.332 . . . . 0.0 114.279 169.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -123.1 -28.8 3.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.477 1.511 . . . . 0.0 111.717 169.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.66 -34.84 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.175 -0.953 . . . . 0.0 112.786 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -32.88 52.69 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 173.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.1 -32.9 72.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.841 0.857 . . . . 0.0 113.259 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -80.13 -42.64 23.12 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 122.507 1.146 . . . . 0.0 111.09 -170.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.24 -39.39 64.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.765 170.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 117.33 1.692 . . . . 0.0 117.33 168.5 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.17 -58.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 119.679 1.127 . . . . 0.0 113.877 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.545 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.26 -34.02 77.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.062 2.145 . . . . 0.0 112.624 175.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.33 -36.17 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.408 -0.807 . . . . 0.0 110.692 175.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -61.28 -46.37 90.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.182 0.901 . . . . 0.0 111.783 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.1 m -67.36 -32.56 73.57 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -39.84 41.43 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.843 0.747 . . . . 0.0 112.707 171.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.65 -57.59 8.74 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.099 0.96 . . . . 0.0 111.008 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -45.84 -23.85 0.32 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -69.19 -33.27 73.09 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.828 1.195 . . . . 0.0 113.716 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -37.92 68.42 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.226 1.375 . . . . 0.0 111.254 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 125.585 1.554 . . . . 0.0 112.341 -179.102 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.06 0.457 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -61.44 -13.25 18.93 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.2 -9.56 15.01 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.624 1.57 . . . . 0.0 113.431 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.79 -29.14 15.51 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.235 -0.916 . . . . 0.0 111.529 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -35.26 63.97 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.07 -1.019 . . . . 0.0 111.703 174.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.8 51.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.944 1.297 . . . . 0.0 113.472 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.32 -39.75 59.13 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.741 1.216 . . . . 0.0 112.664 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -59.67 -39.33 84.1 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.242 -0.912 . . . . 0.0 110.942 177.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.8 -20.91 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 125.188 1.395 . . . . 0.0 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.66 -44.49 18.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.915 -1.116 . . . . 0.0 112.35 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.54 -18.99 39.7 Favored Glycine 0 CA--C 1.539 1.549 0 O-C-N 121.817 -0.552 . . . . 0.0 112.724 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.42 -29.37 68.84 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 118.055 0.927 . . . . 0.0 111.998 172.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.03 -35.71 42.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 113.02 170.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.82 -58.44 3.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.833 0.853 . . . . 0.0 111.57 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.74 -35.39 14.92 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.593 1.557 . . . . 0.0 113.013 -174.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.2 t60 61.63 94.41 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.013 2.125 . . . . 0.0 114.914 -173.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.26 58.82 2.49 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.839 2.055 . . . . 0.0 112.876 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -154.93 84.86 1.09 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.287 1.435 . . . . 0.0 109.641 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.5 -26.73 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 120.48 -1.387 . . . . 0.0 111.177 -171.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -57.82 -4.23 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.731 2.813 . . . . 0.0 114.594 170.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -118.09 -33.45 4.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.209 1.404 . . . . 0.0 112.117 172.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.39 -32.19 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.858 0.863 . . . . 0.0 112.911 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -25.9 60.51 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -71.63 -40.23 69.89 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.858 0.863 . . . . 0.0 112.519 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.95 -41.65 61.7 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.36 0.664 . . . . 0.0 112.05 -167.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.79 -20.99 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 125.264 1.425 . . . . 0.0 113.49 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 CA-C-N 119.289 0.95 . . . . 0.0 115.201 169.199 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.96 -49.08 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 125.308 1.443 . . . . 0.0 114.804 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.73 -37.29 79.34 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.657 1.983 . . . . 0.0 112.488 177.151 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -65.06 -37.97 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.306 -0.871 . . . . 0.0 110.029 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -37.34 71.94 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.717 1.207 . . . . 0.0 112.563 -177.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -81.14 -45.85 15.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.166 1.386 . . . . 0.0 113.285 174.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -33.22 73.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.057 0.844 . . . . 0.0 113.209 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.56 -58.84 5.49 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 124.021 0.928 . . . . 0.0 110.473 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -44.59 -28.2 0.56 Allowed 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 175.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -65.35 -37.09 86.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 117.258 -1.353 . . . . 0.0 114.441 172.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -44.27 84.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.311 1.414 . . . . 0.0 109.554 172.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 124.652 1.181 . . . . 0.0 111.398 -174.213 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 CA-C-O 119.876 -0.402 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -66.84 -19.51 52.68 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.115 3.21 . . . . 0.0 115.982 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 tp 52.16 40.42 28.72 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.639 1.576 . . . . 0.0 112.823 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.07 1.94 28.89 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 116.735 1.454 . . . . 0.0 116.735 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -64.63 137.37 57.79 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.512 1.656 . . . . 0.0 110.273 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.49 128.03 34.1 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.645 -0.66 . . . . 0.0 110.36 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -111.89 146.03 38.46 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.04 1.336 . . . . 0.0 112.014 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.7 mmt-85 -78.06 139.83 39.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.605 0.762 . . . . 0.0 109.797 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -72.75 -38.17 67.44 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 122.067 -0.396 . . . . 0.0 110.837 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -61.81 136.64 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.357 1.863 . . . . 0.0 113.438 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -64.36 160.84 18.1 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.558 2.343 . . . . 0.0 115.543 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -130.33 160.24 34.54 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 126.121 1.768 . . . . 0.0 109.451 166.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -65.0 -31.05 72.1 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.753 -1.217 . . . . 0.0 113.621 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.97 -27.14 36.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.591 1.156 . . . . 0.0 113.079 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.08 -37.67 33.32 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.857 1.263 . . . . 0.0 110.335 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 35.2 t60 -48.08 -54.31 13.59 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 126.973 2.109 . . . . 0.0 110.513 175.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.56 4.25 5.16 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.91 -36.22 25.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.363 1.065 . . . . 0.0 108.982 162.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -52.87 -35.88 58.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.495 -1.378 . . . . 0.0 111.617 171.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -70.83 -12.13 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.101 1.361 . . . . 0.0 110.871 -168.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.91 -53.13 5.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 126.745 2.018 . . . . 0.0 110.635 172.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.8 -22.14 25.32 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.909 0.766 . . . . 0.0 114.403 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.82 -31.35 71.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.849 1.325 . . . . 0.0 111.669 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -44.19 12.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.793 1.637 . . . . 0.0 112.718 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 mt -69.52 -42.25 74.95 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 121.05 -1.032 . . . . 0.0 111.748 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -100.23 -19.87 16.19 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 t60 55.58 82.67 0.1 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.95 1.3 . . . . 0.0 112.887 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.24 61.7 2.45 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.361 1.465 . . . . 0.0 110.657 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -153.6 79.4 1.15 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 123.251 1.501 . . . . 0.0 109.796 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.514 ' CH2' ' HB2' ' A' ' 49' ' ' ALA . 3.7 m95 -64.4 -27.8 69.25 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.556 -1.34 . . . . 0.0 111.786 -169.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.54 5.47 0.19 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.992 2.517 . . . . 0.0 114.15 171.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -123.39 -29.43 3.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.906 1.283 . . . . 0.0 112.423 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.94 -43.52 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.535 1.134 . . . . 0.0 112.695 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -20.79 59.93 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -78.55 -30.8 47.08 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -75.28 -43.63 50.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 122.648 1.214 . . . . 0.0 111.491 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.45 -42.22 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.684 171.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.3 110.94 2.8 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 124.848 1.213 . . . . 0.0 111.846 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.287 1.4 t 60.45 16.91 6.76 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.914 2.086 . . . . 0.0 114.892 169.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -67.78 158.0 33.44 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.777 -1.202 . . . . 0.0 112.11 172.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -87.99 160.02 18.06 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 163.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.47 -15.13 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.018 -1.051 . . . . 0.0 112.829 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.97 -55.62 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 125.614 1.566 . . . . 0.0 114.874 -171.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.94 -27.85 62.09 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.332 1.053 . . . . 0.0 111.568 177.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mt -69.54 -40.91 80.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.514 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.479 176.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -66.02 -42.44 89.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.385 1.448 . . . . 0.0 111.863 -174.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.6 p -69.21 -32.89 72.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -80.76 -23.69 39.17 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB2' ' CH2' ' A' ' 30' ' ' TRP . . . -73.64 -5.03 37.91 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.415 1.578 . . . . 0.0 113.212 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.45 -37.17 13.34 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 127.584 2.353 . . . . 0.0 110.831 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -65.18 -38.63 91.12 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 117.312 -1.327 . . . . 0.0 113.16 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 2.0 p90 -56.6 -39.92 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.138 1.335 . . . . 0.0 111.21 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.25 -35.55 79.78 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 111.481 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.7 -34.28 75.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.985 0.914 . . . . 0.0 112.738 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -76.95 -24.54 52.34 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -52.0 133.66 32.63 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.324 1.05 . . . . 0.0 111.803 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -147.85 141.01 25.05 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.757 1.223 . . . . 0.0 112.778 -171.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -90.5 43.52 1.15 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.857 1.263 . . . . 0.0 113.332 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.4 p -142.12 45.53 1.66 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.573 1.549 . . . . 0.0 112.961 -175.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.385 0 CA-C-O 117.102 -1.427 . . . . 0.0 114.651 -178.723 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 CA-C-O 118.043 -1.421 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.73 156.44 48.78 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.975 3.117 . . . . 0.0 113.381 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.24 145.79 52.05 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.399 1.479 . . . . 0.0 111.706 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.86 24.86 40.06 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.463 1.03 . . . . 0.0 113.736 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -66.75 142.23 57.46 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.613 1.965 . . . . 0.0 112.645 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.63 120.27 23.07 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.751 1.621 . . . . 0.0 110.399 -176.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -68.58 150.96 47.39 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 114.184 -172.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -158.4 164.39 36.33 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 128.108 2.563 . . . . 0.0 110.883 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.11 -50.3 55.72 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.642 -0.662 . . . . 0.0 112.437 -178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -74.22 152.3 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.973 0.909 . . . . 0.0 113.439 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -63.06 150.03 43.6 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.915 0.886 . . . . 0.0 113.35 169.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 p -139.61 175.02 9.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.77 1.628 . . . . 0.0 111.027 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -71.46 -42.67 67.87 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.316 -0.865 . . . . 0.0 112.863 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.02 62.25 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.654 -0.654 . . . . 0.0 112.709 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.18 -38.38 24.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.704 0.802 . . . . 0.0 110.32 173.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.04 70.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.31 0.644 . . . . 0.0 111.441 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.71 -26.33 33.05 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.599 1.16 . . . . 0.0 113.645 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.29 -37.77 18.22 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.752 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.61 -39.1 79.5 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.404 -0.81 . . . . 0.0 110.617 173.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.78 -24.79 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.829 1.252 . . . . 0.0 112.491 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.57 -46.27 17.63 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 123.762 0.825 . . . . 0.0 111.432 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.64 -22.0 23.7 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 123.477 0.56 . . . . 0.0 113.55 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.96 -29.13 69.47 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.451 1.126 . . . . 0.0 112.559 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.41 -30.09 19.74 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.138 1.775 . . . . 0.0 113.118 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.27 -58.47 3.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.035 -1.04 . . . . 0.0 110.42 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -91.7 -33.18 15.15 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -169.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 60.05 100.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.498 2.319 . . . . 0.0 115.934 -169.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.78 60.84 3.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.71 2.404 . . . . 0.0 111.885 169.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.53 79.63 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.547 1.539 . . . . 0.0 109.648 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.87 -28.21 69.39 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 119.854 -1.778 . . . . 0.0 110.801 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -59.35 0.59 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.285 2.234 . . . . 0.0 114.06 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -117.18 -35.46 4.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.915 1.686 . . . . 0.0 112.561 169.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.61 -32.7 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.339 -0.85 . . . . 0.0 113.004 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -35.8 55.56 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -14.21 60.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.263 1.825 . . . . 0.0 113.062 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -86.6 -54.28 4.48 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.557 -0.714 . . . . 0.0 110.77 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.7 -42.49 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.37 0.668 . . . . 0.0 112.132 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.06 -101.93 0.15 Allowed Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.252 0.929 . . . . 0.0 113.888 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -143.15 29.54 1.46 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.886 2.474 . . . . 0.0 110.94 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -57.66 154.96 10.63 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.386 1.874 . . . . 0.0 113.894 -170.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.335 2.9 t -83.67 23.13 1.0 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -177.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.5 t 59.26 -38.62 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 130.283 3.433 . . . . 0.0 116.715 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.46 -44.66 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 121.103 1.774 . . . . 0.0 115.127 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.18 -37.85 88.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.429 1.891 . . . . 0.0 111.166 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.29 -31.8 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 123.928 0.891 . . . . 0.0 111.508 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -64.68 -47.69 77.5 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.811 1.187 . . . . 0.0 112.483 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 p -70.3 -35.97 74.02 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -32.77 66.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.181 -0.914 . . . . 0.0 113.101 171.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.467 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.62 -53.96 47.74 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.506 1.048 . . . . 0.0 109.803 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -46.89 -27.08 1.13 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -61.51 -36.21 79.87 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 119.822 -1.799 . . . . 0.0 113.659 171.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -41.68 90.13 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.766 1.166 . . . . 0.0 110.018 173.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -67.01 -32.8 74.27 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.2 1.0 . . . . 0.0 112.261 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.3 mt -76.14 -9.34 58.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.307 1.443 . . . . 0.0 113.556 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -97.3 -35.65 10.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.939 1.295 . . . . 0.0 112.984 167.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.46 136.24 57.91 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.829 1.252 . . . . 0.0 113.059 -176.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -58.38 137.24 57.39 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.682 1.193 . . . . 0.0 113.273 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -77.41 -3.93 42.76 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.691 1.996 . . . . 0.0 116.14 -172.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.7 m -58.08 130.74 48.01 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.956 1.302 . . . . 0.0 110.416 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.393 0 C-N-CA 125.77 1.628 . . . . 0.0 114.91 -168.792 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.922 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.52 169.14 7.13 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 124.016 3.144 . . . . 0.0 114.069 173.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.65 -43.36 69.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.321 1.048 . . . . 0.0 112.896 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.15 157.54 51.23 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.381 0.991 . . . . 0.0 113.943 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -51.6 127.03 19.21 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.928 0.891 . . . . 0.0 112.214 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -59.63 -44.96 93.3 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.425 1.09 . . . . 0.0 111.66 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -146.01 106.19 4.03 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.42 1.488 . . . . 0.0 110.54 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -148.79 81.96 1.45 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.332 1.853 . . . . 0.0 110.616 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -85.03 46.55 1.29 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.336 1.855 . . . . 0.0 112.065 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -155.72 146.14 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.364 1.466 . . . . 0.0 111.466 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -68.75 159.99 31.24 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.5 151.75 48.77 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.181 1.392 . . . . 0.0 109.722 169.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -66.92 -2.62 5.47 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.53 -17.86 13.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.03 1.732 . . . . 0.0 112.503 167.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.11 -30.6 39.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.568 1.147 . . . . 0.0 109.848 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -34.1 67.6 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.195 0.998 . . . . 0.0 112.086 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.48 -29.07 58.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.49 1.116 . . . . 0.0 112.406 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.32 -37.75 56.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.79 0.836 . . . . 0.0 112.446 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -39.41 77.51 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.801 -1.187 . . . . 0.0 111.005 172.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.26 -17.36 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.557 1.543 . . . . 0.0 112.232 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -81.0 -49.3 11.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 120.858 -1.151 . . . . 0.0 112.291 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.41 -21.46 34.1 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.148 0.88 . . . . 0.0 112.803 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.51 -34.03 76.07 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.802 0.801 . . . . 0.0 111.708 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.61 -5.45 55.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.629 1.971 . . . . 0.0 114.045 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -101.91 -54.76 2.65 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.356 1.062 . . . . 0.0 111.85 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -95.5 -22.88 17.37 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.596 1.558 . . . . 0.0 113.967 -171.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 m80 56.23 84.49 0.08 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.49 1.916 . . . . 0.0 114.533 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tptp 70.06 48.24 0.54 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.69 1.596 . . . . 0.0 113.441 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -152.97 90.18 1.43 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.972 1.709 . . . . 0.0 109.736 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.51 -22.34 65.45 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.657 -1.277 . . . . 0.0 112.247 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -3.3 4.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.27 2.628 . . . . 0.0 113.612 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -116.58 -31.21 5.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.772 1.229 . . . . 0.0 112.336 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.4 mt -52.69 -38.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.072 0.949 . . . . 0.0 112.791 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -32.9 51.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.32 -22.66 54.69 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.601 1.16 . . . . 0.0 113.249 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -79.21 -49.84 11.9 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.403 -0.811 . . . . 0.0 109.917 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.88 -43.41 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.594 173.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.03 112.73 3.25 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.402 1.477 . . . . 0.0 113.875 171.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.305 2.7 t 57.91 25.55 12.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 127.629 2.372 . . . . 0.0 115.665 170.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -85.35 162.51 19.03 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.662 -1.274 . . . . 0.0 112.423 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.8 t -83.38 145.94 28.74 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.389 -0.819 . . . . 0.0 110.102 166.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.27 -18.91 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 120.776 -1.203 . . . . 0.0 112.069 173.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.87 -52.14 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.424 1.09 . . . . 0.0 113.271 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -29.92 60.9 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.801 1.182 . . . . 0.0 112.261 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.73 -40.52 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.571 0.749 . . . . 0.0 110.679 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -59.1 -43.86 91.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.883 0.873 . . . . 0.0 112.198 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -57.56 -53.27 60.07 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.932 0.893 . . . . 0.0 111.432 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -38.46 84.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.628 0.771 . . . . 0.0 112.773 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.08 57.68 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -83.32 -28.57 28.96 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 119.702 -1.874 . . . . 0.0 111.422 165.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -74.51 -36.18 63.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -54.34 -36.07 63.41 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.256 0.934 . . . . 0.0 111.713 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -67.82 -25.13 65.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.18 0.992 . . . . 0.0 112.07 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.79 -31.79 65.12 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.835 1.254 . . . . 0.0 112.696 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -86.24 -27.05 24.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.273 1.029 . . . . 0.0 112.842 174.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.9 tp -70.25 114.82 8.76 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.0 1.32 . . . . 0.0 111.767 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.55 136.47 57.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.122 0.569 . . . . 0.0 111.914 174.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.54 147.41 51.47 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.536 1.134 . . . . 0.0 113.841 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.6 p -88.6 155.98 19.31 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.517 2.327 . . . . 0.0 113.189 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.403 0 C-N-CA 124.373 1.069 . . . . 0.0 112.599 171.587 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.093 0 CA-C-O 118.8 -1.0 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.9 153.74 30.0 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 124.281 3.321 . . . . 0.0 116.632 -169.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.98 136.6 40.01 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.61 1.964 . . . . 0.0 111.834 174.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.83 -178.59 42.44 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.35 0.976 . . . . 0.0 115.467 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -151.56 160.08 43.83 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.082 1.753 . . . . 0.0 109.675 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -136.19 149.95 48.81 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -141.34 -19.4 0.78 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.088 2.555 . . . . 0.0 113.548 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 tpt85 -150.78 143.59 24.56 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.479 1.036 . . . . 0.0 111.787 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -76.63 -2.24 31.7 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.109 1.763 . . . . 0.0 114.855 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.77 163.5 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 127.347 2.259 . . . . 0.0 110.587 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -58.63 143.8 45.21 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.37 0.986 . . . . 0.0 113.39 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 p -143.11 161.84 37.13 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.847 1.659 . . . . 0.0 110.918 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -72.13 -1.51 15.16 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.12 13.89 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.116 1.366 . . . . 0.0 111.694 168.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -85.54 -27.98 25.21 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 120.658 -1.277 . . . . 0.0 111.363 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.08 51.68 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.579 -0.701 . . . . 0.0 110.802 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.88 -26.89 62.72 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.564 1.546 . . . . 0.0 113.607 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -76.05 -45.34 34.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 127.558 2.343 . . . . 0.0 111.987 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.73 -39.07 76.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.324 0.65 . . . . 0.0 110.249 177.739 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.73 -21.38 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.221 1.008 . . . . 0.0 112.313 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.47 -47.74 25.81 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.615 -1.303 . . . . 0.0 111.276 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.49 -22.13 30.27 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-O 119.623 -0.543 . . . . 0.0 113.396 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.33 -27.9 66.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.81 1.305 . . . . 0.0 112.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.02 24.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.783 1.633 . . . . 0.0 113.638 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -87.2 -56.36 3.41 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.143 0.883 . . . . 0.0 111.953 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -94.82 -30.24 14.32 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.613 1.565 . . . . 0.0 113.881 -173.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 t60 50.87 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.155 2.182 . . . . 0.0 115.379 -169.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.0 56.88 6.52 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.162 2.185 . . . . 0.0 112.295 170.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -153.83 80.23 1.15 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.77 1.271 . . . . 0.0 109.628 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -65.35 -27.73 68.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.596 -1.315 . . . . 0.0 111.482 -169.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -56.88 -5.47 0.24 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.074 2.149 . . . . 0.0 114.426 171.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -115.69 -29.74 6.35 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.293 1.406 . . . . 0.0 112.575 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.44 -35.77 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.663 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -25.15 64.49 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.66 -39.12 64.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.382 0.673 . . . . 0.0 112.494 171.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -68.84 -41.05 79.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.246 1.022 . . . . 0.0 113.177 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.12 -19.49 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 126.151 1.78 . . . . 0.0 113.794 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.72 48.41 0.07 OUTLIER Glycine 0 CA--C 1.534 1.228 0 N-CA-C 116.509 1.363 . . . . 0.0 116.509 170.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m 51.09 39.54 23.57 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.84 1.656 . . . . 0.0 114.086 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -80.51 -176.67 5.84 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.424 1.49 . . . . 0.0 112.451 172.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.68 155.67 20.29 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.252 1.021 . . . . 0.0 110.405 167.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.32 -18.81 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 125.307 1.443 . . . . 0.0 113.661 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.26 -41.57 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -168.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -86.45 -29.98 22.4 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.043 1.737 . . . . 0.0 111.879 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -64.25 -31.92 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.816 0.846 . . . . 0.0 111.106 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -56.78 -49.13 76.24 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.156 1.382 . . . . 0.0 113.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 p -78.12 -35.83 48.62 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -38.74 91.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.46 0.704 . . . . 0.0 111.697 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.77 -59.86 3.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.262 0.625 . . . . 0.0 111.365 173.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -50.67 -16.73 0.42 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -66.1 -36.39 83.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 120.216 1.371 . . . . 0.0 112.58 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -43.42 77.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.652 1.115 . . . . 0.0 109.706 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -67.88 -24.72 65.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.314 1.446 . . . . 0.0 113.206 -174.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.73 -34.38 40.03 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.89 1.276 . . . . 0.0 112.922 170.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -80.37 -32.3 37.67 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 mt -54.2 143.72 22.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.337 1.055 . . . . 0.0 112.567 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -156.47 148.72 23.3 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -66.21 161.63 21.69 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.311 1.444 . . . . 0.0 112.642 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.7 p -70.76 123.52 22.12 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.578 0.704 . . . . 0.0 111.216 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.398 0 C-N-CA 125.676 1.591 . . . . 0.0 112.841 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.996 0 CA-C-O 117.767 -1.574 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -58.68 -31.7 95.34 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 124.058 3.172 . . . . 0.0 116.031 -172.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -130.56 147.79 52.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.059 1.744 . . . . 0.0 110.655 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.59 26.69 68.66 Favored Glycine 0 CA--C 1.539 1.589 0 O-C-N 121.507 -0.746 . . . . 0.0 113.19 -169.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -57.39 -21.6 37.24 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.62 1.968 . . . . 0.0 115.697 -167.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.76 -16.62 63.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.247 1.019 . . . . 0.0 113.659 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -77.78 136.37 38.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.066 0.946 . . . . 0.0 110.537 170.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -92.14 160.17 15.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.794 1.238 . . . . 0.0 113.857 -172.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.37 -40.1 15.75 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.885 0.874 . . . . 0.0 110.916 169.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.0 t -68.57 146.67 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 126.568 1.947 . . . . 0.0 110.856 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -56.99 145.15 31.29 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -133.57 167.92 19.6 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.897 1.679 . . . . 0.0 110.596 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.58 -45.58 82.7 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.785 -1.197 . . . . 0.0 112.555 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -18.53 64.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -84.22 -39.15 19.66 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.702 -1.249 . . . . 0.0 110.795 171.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -42.18 79.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.116 -0.99 . . . . 0.0 111.417 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -9.87 1.57 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.774 1.63 . . . . 0.0 115.093 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -100.38 -34.99 9.74 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.965 1.306 . . . . 0.0 112.284 169.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -60.33 -39.92 88.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.387 -1.445 . . . . 0.0 110.494 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.5 -13.81 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.745 1.218 . . . . 0.0 113.509 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.9 -47.9 9.23 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.445 1.498 . . . . 0.0 111.413 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.12 -19.99 18.61 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.605 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.39 -40.64 95.1 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.902 1.351 . . . . 0.0 111.072 172.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.78 58.94 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.529 1.532 . . . . 0.0 113.894 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.7 mt -86.71 -55.21 3.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.996 1.318 . . . . 0.0 111.762 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -96.47 -24.73 15.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.413 1.485 . . . . 0.0 113.825 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 59.74 85.56 0.1 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.194 1.398 . . . . 0.0 113.697 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? 57.39 58.4 3.86 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.634 1.574 . . . . 0.0 111.828 173.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -155.72 85.28 1.04 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 123.609 1.671 . . . . 0.0 109.546 -169.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -67.14 -26.37 66.63 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.462 -1.399 . . . . 0.0 111.401 -171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -57.24 -2.85 0.12 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.929 2.092 . . . . 0.0 114.736 169.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -121.27 -30.57 4.27 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.621 1.1 . . . . 0.0 112.491 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.5 mt -54.24 -36.84 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -27.33 65.46 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.51 -49.06 72.81 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.338 1.055 . . . . 0.0 110.972 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -72.18 -40.62 67.8 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.896 1.278 . . . . 0.0 111.636 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mm -65.83 -15.25 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.411 1.884 . . . . 0.0 113.698 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.64 50.64 0.27 Allowed Glycine 0 N--CA 1.477 1.415 0 C-N-CA 125.249 1.404 . . . . 0.0 115.999 168.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 m 55.15 36.56 27.26 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.96 1.704 . . . . 0.0 113.49 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -79.36 -179.97 7.09 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.33 1.852 . . . . 0.0 112.745 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 p -78.36 165.66 23.57 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.804 -1.185 . . . . 0.0 111.187 166.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t -93.61 -20.6 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.588 -1.32 . . . . 0.0 113.621 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.5 t -50.42 -53.91 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 120.082 1.31 . . . . 0.0 113.515 -171.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.551 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.03 -34.44 78.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.502 1.921 . . . . 0.0 112.517 175.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.56 -35.45 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.223 -0.923 . . . . 0.0 111.206 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.76 -51.68 68.57 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.277 0.631 . . . . 0.0 112.318 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -71.81 -30.49 65.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.71 0.804 . . . . 0.0 113.073 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -37.84 43.96 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.1 -56.21 15.9 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 124.198 0.999 . . . . 0.0 110.292 174.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -45.69 -23.06 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -68.63 -34.76 76.29 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.0 1.273 . . . . 0.0 113.762 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.98 -42.46 85.14 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.451 1.478 . . . . 0.0 109.915 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.86 -44.16 77.77 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.131 0.973 . . . . 0.0 112.935 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.9 -9.87 58.56 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -77.35 -27.32 52.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.819 1.247 . . . . 0.0 113.011 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.49 130.55 47.16 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.984 1.314 . . . . 0.0 112.042 -174.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 m120 55.02 29.53 12.52 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -68.84 -27.09 65.52 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.069 -1.019 . . . . 0.0 113.461 175.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.8 m -71.28 132.36 44.81 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.854 1.262 . . . . 0.0 111.614 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 C-N-CA 125.56 1.544 . . . . 0.0 113.827 -175.4 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.95 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.18 -38.69 1.41 Allowed 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.544 2.83 . . . . 0.0 112.474 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.4 144.12 32.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.349 1.86 . . . . 0.0 113.488 -175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.75 46.13 95.08 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 123.064 0.364 . . . . 0.0 113.048 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -67.48 137.12 55.58 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.755 -0.85 . . . . 0.0 112.616 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.6 140.38 21.78 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 169.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.32 166.19 18.88 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.876 1.67 . . . . 0.0 113.06 177.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -116.46 -51.92 2.59 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.667 1.587 . . . . 0.0 111.99 168.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -125.78 -31.24 2.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.76 1.624 . . . . 0.0 113.403 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.0 162.39 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.142 0.977 . . . . 0.0 113.151 -177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -79.94 159.77 26.2 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.27 158.09 45.26 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.637 1.575 . . . . 0.0 109.907 168.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.05 -5.16 16.11 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.29 -21.75 13.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 0.0 112.455 168.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.31 -31.7 26.72 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.196 -0.94 . . . . 0.0 110.808 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -36.82 64.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 111.018 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.48 45.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.997 1.319 . . . . 0.0 113.058 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.03 -36.16 61.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.54 1.136 . . . . 0.0 113.465 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.14 79.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.407 0.683 . . . . 0.0 110.306 172.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.4 t -67.52 -13.76 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.391 1.476 . . . . 0.0 112.495 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.81 -47.83 9.35 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.332 -1.48 . . . . 0.0 112.022 173.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -22.4 21.58 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-N 118.429 0.559 . . . . 0.0 113.531 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.82 -30.41 71.51 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.319 1.06 . . . . 0.0 112.335 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 -14.26 30.58 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.485 1.914 . . . . 0.0 114.153 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.0 mt -94.5 -51.73 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.343 1.057 . . . . 0.0 111.587 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.03 -29.12 14.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.238 1.415 . . . . 0.0 113.385 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 55.3 86.48 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.987 1.315 . . . . 0.0 113.354 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm 60.1 70.98 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.143 1.777 . . . . 0.0 111.02 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -161.47 80.76 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.576 1.55 . . . . 0.0 110.688 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -65.97 -31.5 72.45 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 120.125 -1.609 . . . . 0.0 111.331 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -1.93 0.19 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.518 2.727 . . . . 0.0 114.371 170.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -111.25 -34.9 6.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.025 1.33 . . . . 0.0 111.536 166.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.83 -33.8 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.504 1.122 . . . . 0.0 113.257 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -27.09 62.2 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.27 -22.47 44.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.474 1.109 . . . . 0.0 113.921 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -81.52 -48.33 11.96 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.384 0.612 . . . . 0.0 109.872 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.82 -38.1 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.516 0.726 . . . . 0.0 111.632 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.63 8.6 58.25 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.84 1.209 . . . . 0.0 115.674 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -64.57 -27.93 69.29 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.322 1.561 . . . . 0.0 113.437 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 61.08 6.05 1.18 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -169.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -133.93 134.56 42.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.906 1.282 . . . . 0.0 112.579 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -90.82 -14.88 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.856 2.062 . . . . 0.0 112.808 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.12 -50.17 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.436 1.471 . . . . 0.0 113.392 -170.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.53 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.51 -34.27 69.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.283 1.433 . . . . 0.0 112.321 174.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.16 -39.46 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.079 0.952 . . . . 0.0 110.805 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.8 -49.62 72.7 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.136 1.374 . . . . 0.0 111.317 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -67.1 -40.75 86.97 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.384 1.074 . . . . 0.0 112.411 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -36.18 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 172.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.88 -3.83 21.17 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.46 -1.4 . . . . 0.0 114.439 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -88.98 -27.85 20.62 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 126.44 1.896 . . . . 0.0 111.928 165.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -68.27 -43.69 77.2 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.767 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -54.09 -37.86 64.7 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.948 0.795 . . . . 0.0 111.227 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -66.77 -29.53 69.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.38 1.472 . . . . 0.0 111.979 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.7 mt -75.04 -25.17 58.5 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.793 1.637 . . . . 0.0 113.121 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.25 -18.27 46.56 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.646 1.178 . . . . 0.0 113.513 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.2 mt -69.19 143.04 54.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.581 1.152 . . . . 0.0 110.95 170.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -64.24 134.1 54.09 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.438 1.095 . . . . 0.0 111.222 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -62.51 -30.76 71.51 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 121.258 -0.901 . . . . 0.0 112.265 174.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.306 1.0 OUTLIER 51.55 28.22 4.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 128.688 2.795 . . . . 0.0 114.502 173.475 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.349 0 C-N-CA 127.019 2.128 . . . . 0.0 115.036 -169.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.9 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -65.4 -16.5 54.54 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.758 2.972 . . . . 0.0 116.578 -170.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -145.08 160.87 40.72 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.052 1.741 . . . . 0.0 111.678 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.25 159.37 18.88 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.027 1.775 . . . . 0.0 113.111 171.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -165.33 155.31 13.12 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.824 1.65 . . . . 0.0 110.228 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.53 -6.14 41.88 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -123.2 171.26 9.48 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.558 1.943 . . . . 0.0 111.253 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -75.2 24.36 0.1 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.935 1.294 . . . . 0.0 112.949 174.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -75.24 -15.28 60.55 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.139 2.176 . . . . 0.0 113.658 -170.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.39 174.94 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 127.116 2.166 . . . . 0.0 110.781 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -52.9 145.78 12.02 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 p -135.22 160.31 38.78 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.648 1.179 . . . . 0.0 112.939 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -72.46 23.2 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.762 1.625 . . . . 0.0 114.38 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.26 -17.27 0.92 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.666 1.987 . . . . 0.0 112.852 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.95 -39.94 14.32 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.033 0.933 . . . . 0.0 109.553 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.12 78.89 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.616 -0.677 . . . . 0.0 111.748 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -11.4 1.84 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.252 1.821 . . . . 0.0 114.878 173.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -90.07 -41.64 11.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.14 1.776 . . . . 0.0 111.448 171.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.07 -39.48 75.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.004 -1.06 . . . . 0.0 110.742 172.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.63 -12.87 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.09 2.156 . . . . 0.0 113.351 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.98 -48.5 6.95 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.035 1.334 . . . . 0.0 112.116 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.84 -20.79 27.42 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.427 0.558 . . . . 0.0 113.581 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -61.98 -33.04 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.323 1.061 . . . . 0.0 112.004 172.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.98 -6.52 55.56 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.423 1.889 . . . . 0.0 114.524 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -105.26 -53.43 2.66 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.119 1.368 . . . . 0.0 112.224 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -95.96 -22.46 17.39 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.638 1.175 . . . . 0.0 113.598 -174.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 56.89 82.5 0.12 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.695 1.998 . . . . 0.0 113.768 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HE2' ' CZ2' ' A' ' 30' ' ' TRP . 5.3 tmtt? 57.45 66.33 1.17 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.5 2.32 . . . . 0.0 111.978 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -155.37 79.47 1.03 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.282 1.433 . . . . 0.0 108.075 -170.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CZ2' ' HE2' ' A' ' 28' ' ' LYS . 3.5 m95 -65.57 -29.68 70.33 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.648 -1.283 . . . . 0.0 110.222 -171.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -58.36 5.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 129.361 3.065 . . . . 0.0 114.954 170.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -124.69 -34.59 2.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.952 1.701 . . . . 0.0 112.595 168.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.3 mt -54.74 -38.28 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.409 1.004 . . . . 0.0 112.969 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -33.01 22.02 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -76.39 -24.09 54.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.788 1.235 . . . . 0.0 113.501 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -81.28 -43.42 19.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.997 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.36 -39.71 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.529 1.132 . . . . 0.0 110.23 170.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.2 102.98 2.25 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.089 0.852 . . . . 0.0 113.984 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.5 m 64.5 19.04 11.67 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.039 1.336 . . . . 0.0 114.597 167.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -81.29 166.78 20.21 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.254 -1.529 . . . . 0.0 112.77 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 p -79.49 170.26 16.84 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 165.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -81.6 -16.95 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.4 -1.438 . . . . 0.0 112.813 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.48 -48.95 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.946 -1.096 . . . . 0.0 113.562 -169.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -35.91 81.02 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 111.801 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.1 -33.44 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -58.15 -37.15 74.1 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.987 1.267 . . . . 0.0 112.187 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -68.97 -51.43 39.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.686 1.995 . . . . 0.0 111.986 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -31.12 34.76 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.741 -0.6 . . . . 0.0 112.506 -177.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -70.51 -6.12 33.88 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -87.3 -32.65 19.56 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.482 -1.386 . . . . 0.0 110.682 164.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -67.84 -34.7 77.22 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 117.378 -1.296 . . . . 0.0 114.385 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.43 -41.5 72.87 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.108 1.322 . . . . 0.0 110.935 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.0 -30.58 69.01 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.307 1.043 . . . . 0.0 112.617 -173.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.96 -27.31 66.49 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.647 0.779 . . . . 0.0 112.426 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -94.22 -37.33 11.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.506 1.522 . . . . 0.0 112.575 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.46 144.74 55.6 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.727 1.611 . . . . 0.0 113.199 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -152.04 146.48 25.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.577 0.751 . . . . 0.0 110.152 165.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -55.29 -17.46 4.69 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -172.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.7 p -79.86 -18.96 49.45 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -172.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 C-N-CA 127.971 2.508 . . . . 0.0 115.505 172.573 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.991 0 CA-C-O 119.017 -0.88 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -62.68 147.1 95.2 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.134 2.556 . . . . 0.0 110.761 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.6 mt 58.24 12.76 2.05 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 114.376 -173.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.5 11.08 64.52 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.71 1.624 . . . . 0.0 116.125 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -65.46 -46.55 79.41 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.183 1.492 . . . . 0.0 114.288 -168.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -74.19 111.45 9.37 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.729 1.15 . . . . 0.0 112.581 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -88.45 -19.48 26.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.193 1.397 . . . . 0.0 112.929 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -142.43 172.52 12.57 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.969 2.507 . . . . 0.0 110.061 169.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -135.98 150.85 49.41 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.675 -0.641 . . . . 0.0 112.672 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.83 115.43 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.67 1.588 . . . . 0.0 108.775 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -65.98 153.47 42.04 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.158 0.983 . . . . 0.0 112.733 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -136.83 166.04 24.55 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.948 1.299 . . . . 0.0 110.113 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -73.65 -27.08 61.07 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.097 -1.002 . . . . 0.0 112.936 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.98 -23.71 52.3 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.206 1.003 . . . . 0.0 113.118 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.21 -39.82 16.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.193 0.906 . . . . 0.0 110.106 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.66 76.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.259 -0.901 . . . . 0.0 112.031 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.46 -16.02 8.42 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.1 -45.53 13.87 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.361 1.437 . . . . 0.0 112.09 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.13 -38.15 73.05 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.234 -0.916 . . . . 0.0 111.678 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.5 -19.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.496 1.119 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -81.23 -43.18 19.62 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.943 -1.098 . . . . 0.0 112.049 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.35 -20.51 29.84 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.177 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.78 -17.64 62.78 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.898 1.349 . . . . 0.0 113.313 173.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.11 -23.47 17.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 113.214 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.93 -57.27 3.1 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.342 1.057 . . . . 0.0 111.952 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -98.7 -8.93 25.33 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.601 1.56 . . . . 0.0 113.35 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m80 67.69 -56.62 0.47 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.437 2.695 . . . . 0.0 116.232 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -163.83 64.61 0.16 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.185 1.394 . . . . 0.0 111.55 -173.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -155.98 95.06 1.59 Allowed 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.843 1.257 . . . . 0.0 109.901 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -65.81 -25.17 67.11 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 120.805 -1.184 . . . . 0.0 110.455 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -59.16 -5.3 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.738 1.615 . . . . 0.0 113.783 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -116.6 -30.61 5.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.906 1.683 . . . . 0.0 112.185 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.3 mt -57.74 -29.67 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.679 -1.263 . . . . 0.0 113.025 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -28.71 62.35 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.54 -34.19 69.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.781 1.633 . . . . 0.0 112.642 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -76.57 -44.93 32.62 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.64 -0.663 . . . . 0.0 110.621 -171.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.5 -23.71 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 124.185 0.994 . . . . 0.0 111.606 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.26 20.49 78.94 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.614 -1.303 . . . . 0.0 114.518 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.1 t -90.32 -13.15 35.78 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.298 1.439 . . . . 0.0 113.368 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 65.1 -4.57 0.49 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 117.464 2.394 . . . . 0.0 117.464 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.0 p -123.47 150.18 44.19 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.488 1.515 . . . . 0.0 113.048 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -101.39 -17.38 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.875 1.27 . . . . 0.0 112.344 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.2 -43.9 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -170.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.487 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -70.52 -41.13 72.99 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.361 1.864 . . . . 0.0 112.728 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.38 -31.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.685 0.794 . . . . 0.0 111.982 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -62.47 -45.28 93.76 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.856 0.753 . . . . 0.0 112.983 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 m -77.97 -37.25 47.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.467 1.107 . . . . 0.0 112.989 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -29.92 62.69 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -54.44 -56.84 14.61 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 119.417 1.008 . . . . 0.0 109.805 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -48.04 -28.16 2.67 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -61.17 -36.66 80.43 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 117.452 -1.261 . . . . 0.0 112.866 171.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -39.44 70.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.56 1.527 . . . . 0.0 111.227 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -71.18 -29.16 64.83 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.364 1.066 . . . . 0.0 112.231 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.1 mt -79.61 -33.32 41.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.042 0.937 . . . . 0.0 113.515 172.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -71.69 -28.09 63.48 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.895 0.878 . . . . 0.0 112.226 169.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 tp -68.35 151.52 46.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.512 1.525 . . . . 0.0 111.741 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -59.15 137.38 57.98 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -171.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.53 153.1 42.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.333 1.053 . . . . 0.0 111.06 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.3 m -56.85 140.71 47.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.59 1.156 . . . . 0.0 111.642 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.422 0 CA-C-O 117.426 -1.274 . . . . 0.0 113.353 -177.505 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.034 0 CA-C-O 119.883 -0.398 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.37 -5.89 10.12 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 124.348 3.365 . . . . 0.0 116.474 -169.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -149.88 144.58 26.02 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.43 1.468 . . . . 0.0 113.101 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.65 -164.73 39.48 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.138 1.828 . . . . 0.0 114.582 -177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 m -68.44 164.92 19.96 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.669 1.188 . . . . 0.0 113.563 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -61.98 129.16 39.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.201 1.001 . . . . 0.0 112.374 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -68.66 163.16 24.44 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.345 1.858 . . . . 0.0 113.159 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -117.16 144.92 44.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.773 1.229 . . . . 0.0 113.191 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -75.95 -37.78 58.29 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.648 1.179 . . . . 0.0 112.761 174.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -78.55 150.09 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.502 1.121 . . . . 0.0 112.103 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -59.34 142.44 52.12 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.14 0.971 . . . . 0.0 113.172 170.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t -151.51 156.46 40.6 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.374 1.87 . . . . 0.0 109.192 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.12 -37.17 71.59 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 120.518 1.508 . . . . 0.0 114.257 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.23 66.2 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.593 -0.692 . . . . 0.0 112.595 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.91 -41.55 13.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.413 1.085 . . . . 0.0 111.168 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -37.36 72.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.17 -27.22 13.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.877 1.271 . . . . 0.0 113.917 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -89.98 -32.33 16.84 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.276 1.43 . . . . 0.0 113.244 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.53 -39.96 81.62 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.338 -0.851 . . . . 0.0 111.176 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -62.82 -19.66 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -85.78 -44.09 12.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.131 -0.981 . . . . 0.0 113.247 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.95 -18.74 34.47 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 118.983 0.81 . . . . 0.0 113.438 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.41 -37.08 84.43 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.959 0.879 . . . . 0.0 111.33 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.53 60.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.901 1.28 . . . . 0.0 113.391 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -83.89 -54.86 4.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 111.822 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.53 -26.86 19.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.393 1.477 . . . . 0.0 113.232 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 t60 51.11 98.71 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.006 2.123 . . . . 0.0 114.686 -170.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? 57.35 56.53 5.03 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.79 1.636 . . . . 0.0 112.182 168.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.89 81.72 1.21 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.347 1.059 . . . . 0.0 110.562 -172.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -62.37 -26.48 68.48 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.951 -1.093 . . . . 0.0 112.284 -170.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.16 3.3 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 128.841 2.856 . . . . 0.0 115.076 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -120.6 -33.05 3.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.98 1.312 . . . . 0.0 111.548 169.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -56.09 -36.71 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.837 0.855 . . . . 0.0 112.767 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -35.35 16.81 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.74 -21.52 37.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -80.48 -38.94 28.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.125 0.964 . . . . 0.0 112.008 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.67 -34.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.066 1.346 . . . . 0.0 113.544 170.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.84 -104.8 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 CA-C-N 119.192 0.906 . . . . 0.0 114.033 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -148.52 17.14 1.03 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.946 1.698 . . . . 0.0 112.628 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -57.82 156.24 9.15 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.821 1.649 . . . . 0.0 112.159 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -76.49 154.67 34.46 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.926 -1.108 . . . . 0.0 109.764 168.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -74.43 -3.37 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 119.956 -1.715 . . . . 0.0 114.831 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -52.59 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 124.894 1.278 . . . . 0.0 114.362 -172.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.48 -34.04 69.83 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.768 1.227 . . . . 0.0 110.661 175.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.15 -40.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.072 0.949 . . . . 0.0 110.687 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -63.24 -38.31 90.66 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.345 1.458 . . . . 0.0 112.876 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -75.03 -47.62 28.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.872 2.469 . . . . 0.0 112.845 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -33.77 74.55 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.758 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.14 -58.27 6.55 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 123.718 0.807 . . . . 0.0 110.32 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -48.1 -24.82 1.22 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.97 -29.31 69.69 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.941 1.246 . . . . 0.0 114.278 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.86 72.27 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.449 1.477 . . . . 0.0 112.207 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -67.5 -28.82 68.16 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.6 mt -53.16 -38.46 62.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.126 0.57 . . . . 0.0 112.469 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -64.02 -44.95 91.03 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.918 0.887 . . . . 0.0 111.871 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -76.01 -27.32 57.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.807 1.243 . . . . 0.0 114.324 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -62.1 143.24 56.94 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.112 0.965 . . . . 0.0 112.14 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.31 124.96 22.59 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.762 0.825 . . . . 0.0 111.852 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.4 t -67.14 -24.65 65.92 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -171.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.015 2.126 . . . . 0.0 112.893 173.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.71 -12.23 26.49 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.725 2.95 . . . . 0.0 115.707 -175.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.52 126.39 33.81 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.394 1.452 . . . . 0.0 111.763 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 -175.36 34.2 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 126.079 1.799 . . . . 0.0 114.05 171.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -165.52 148.23 7.78 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.824 1.65 . . . . 0.0 110.489 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -71.91 -19.46 61.92 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -99.3 138.31 36.58 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.109 1.764 . . . . 0.0 111.883 -177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -77.18 52.74 0.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.669 1.188 . . . . 0.0 112.665 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.56 152.02 37.81 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.132 -0.98 . . . . 0.0 113.404 -173.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.53 152.97 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 126.124 1.77 . . . . 0.0 114.103 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -54.56 149.75 10.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.931 1.693 . . . . 0.0 113.117 171.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.8 159.96 40.28 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.067 1.347 . . . . 0.0 110.396 170.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -69.79 -5.56 26.29 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.85 -22.67 17.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.062 -1.024 . . . . 0.0 111.846 167.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.88 -36.02 14.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.697 1.599 . . . . 0.0 111.126 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -33.05 65.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.518 1.527 . . . . 0.0 111.286 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.87 -27.62 44.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.754 1.222 . . . . 0.0 113.034 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.91 -36.16 49.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.249 0.62 . . . . 0.0 110.831 170.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.45 -19.58 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.976 0.911 . . . . 0.0 112.581 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -82.35 -42.12 19.12 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.232 -0.918 . . . . 0.0 112.731 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.88 -19.25 49.56 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-O 119.435 -0.647 . . . . 0.0 112.6 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.25 -13.0 61.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.192 1.496 . . . . 0.0 112.986 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.16 -4.86 25.16 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.483 1.913 . . . . 0.0 114.042 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -107.66 -55.42 2.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.975 1.31 . . . . 0.0 111.775 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -102.23 -10.7 19.33 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.317 2.247 . . . . 0.0 113.192 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 m80 68.32 -61.52 0.39 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.83 2.452 . . . . 0.0 115.994 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.76 58.43 0.43 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.943 1.297 . . . . 0.0 111.312 -169.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -156.19 89.77 1.16 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 123.073 1.416 . . . . 0.0 110.192 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -65.72 -25.62 67.38 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.105 -0.997 . . . . 0.0 111.266 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -4.5 2.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.495 1.918 . . . . 0.0 113.601 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -114.54 -32.4 5.9 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.673 1.124 . . . . 0.0 112.064 171.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.03 -30.75 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.906 1.282 . . . . 0.0 112.412 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -31.91 28.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 169.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.02 -16.03 51.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.136 0.974 . . . . 0.0 113.55 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -82.44 -47.99 11.6 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.55 -0.719 . . . . 0.0 111.017 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.53 -32.45 36.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.313 1.045 . . . . 0.0 112.152 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.06 22.27 33.21 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.648 1.118 . . . . 0.0 114.677 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 p -77.77 -27.9 50.42 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.189 1.495 . . . . 0.0 113.859 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 66.29 -47.21 0.43 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.47 2.308 . . . . 0.0 114.734 -168.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 p -78.22 148.01 34.18 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.851 2.46 . . . . 0.0 113.465 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -112.89 -22.23 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.456 1.502 . . . . 0.0 114.547 -168.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.66 -38.48 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -171.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.483 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.41 -31.37 69.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.176 1.791 . . . . 0.0 113.137 171.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -69.03 -39.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.792 -1.192 . . . . 0.0 110.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -54.23 -49.91 68.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.57 1.548 . . . . 0.0 112.464 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.4 p -75.97 -36.13 59.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.9 1.28 . . . . 0.0 113.333 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -32.32 70.35 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 172.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -56.45 -55.4 34.07 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.103 0.865 . . . . 0.0 110.655 -177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -44.09 -29.22 0.58 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -63.56 -32.43 73.89 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.727 -1.233 . . . . 0.0 113.879 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -41.63 89.14 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.146 1.339 . . . . 0.0 110.748 171.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -72.92 -41.04 64.97 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.05 1.34 . . . . 0.0 112.044 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.29 -41.72 98.74 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.26 1.024 . . . . 0.0 112.402 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -74.69 -31.45 61.9 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.38 -35.07 79.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.728 1.211 . . . . 0.0 112.26 172.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -54.77 128.27 32.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.148 0.579 . . . . 0.0 111.361 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt 60.91 -7.97 0.08 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.8 m -82.66 123.71 29.52 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 120.014 1.279 . . . . 0.0 112.417 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 C-N-CA 128.121 2.568 . . . . 0.0 116.062 169.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.028 0 CA-C-O 119.506 -0.608 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.87 151.82 81.58 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 125.296 3.997 . . . . 0.0 113.248 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.5 mt -136.79 177.54 7.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.774 1.629 . . . . 0.0 112.446 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.36 -122.22 17.54 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.271 0.938 . . . . 0.0 111.695 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -72.23 -18.24 61.84 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 50.07 23.36 1.11 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.127 2.171 . . . . 0.0 114.054 -170.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -87.57 140.1 29.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.482 1.113 . . . . 0.0 112.801 -169.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -66.46 -7.15 17.67 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -170.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -71.77 -26.09 62.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.689 1.196 . . . . 0.0 114.134 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 m -130.49 170.43 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 C-N-CA 125.406 1.482 . . . . 0.0 113.554 -168.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' CD1' ' CD2' ' A' ' 48' ' ' HIS . 51.5 m95 -66.35 157.32 32.07 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -171.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -135.76 164.63 27.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.723 2.009 . . . . 0.0 110.337 168.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -59.09 -12.54 5.05 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.84 5.33 3.63 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.305 1.842 . . . . 0.0 113.523 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.08 -29.91 28.41 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.837 -1.165 . . . . 0.0 110.011 169.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -55.03 -34.22 63.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.66 -0.65 . . . . 0.0 111.135 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -11.62 10.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.054 1.342 . . . . 0.0 114.241 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -82.92 -43.02 16.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.311 1.445 . . . . 0.0 110.826 168.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.98 -36.74 68.2 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.183 -0.948 . . . . 0.0 111.087 173.291 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -66.42 -12.7 15.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.726 1.611 . . . . 0.0 112.699 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.94 -47.96 8.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.621 -1.299 . . . . 0.0 112.035 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.68 -18.1 15.9 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.806 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.76 -39.29 93.37 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.976 1.388 . . . . 0.0 111.227 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.09 60.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.215 1.406 . . . . 0.0 113.246 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.52 -62.65 1.5 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.547 1.139 . . . . 0.0 111.086 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -87.83 -25.12 23.48 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.119 0.968 . . . . 0.0 113.609 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t60 57.17 88.51 0.05 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.772 2.029 . . . . 0.0 114.195 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? 58.78 61.74 2.1 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.928 2.091 . . . . 0.0 111.847 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -152.38 86.84 1.29 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 123.06 1.409 . . . . 0.0 109.977 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -64.69 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.723 1.209 . . . . 0.0 110.802 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -57.66 -5.31 0.36 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.684 1.993 . . . . 0.0 114.055 168.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.66 -33.33 5.55 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.837 1.198 . . . . 0.0 112.357 169.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.27 -34.23 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.671 0.789 . . . . 0.0 112.79 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -27.3 65.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -70.77 -33.39 70.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.052 0.941 . . . . 0.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -77.27 -41.91 39.08 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 111.147 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.2 -31.46 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.063 169.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.11 101.32 2.66 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 127.129 2.299 . . . . 0.0 114.857 169.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.345 1.9 t 52.35 27.17 4.6 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 128.591 2.756 . . . . 0.0 116.736 170.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -77.64 171.2 15.29 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.993 -1.067 . . . . 0.0 110.116 170.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.8 172.92 12.32 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.852 0.751 . . . . 0.0 109.28 166.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -86.4 -15.24 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 O-C-N 120.376 -1.452 . . . . 0.0 112.71 172.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.05 -47.89 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.457 -1.402 . . . . 0.0 113.518 -170.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.98 -34.66 78.24 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.354 -0.841 . . . . 0.0 111.908 175.309 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.7 -37.95 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.778 0.831 . . . . 0.0 110.736 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 tpt85 -60.61 -44.57 96.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -174.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -66.91 -48.63 68.11 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.177 0.923 . . . . 0.0 111.263 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.402 ' CD2' ' CD1' ' A' ' 11' ' ' TRP . 11.4 m-70 -69.37 -34.32 74.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -55.53 -57.25 12.69 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.138 0.881 . . . . 0.0 110.558 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -53.16 -20.12 3.59 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 119.909 -1.744 . . . . 0.0 115.122 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -69.41 -33.92 73.72 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.331 -1.319 . . . . 0.0 112.929 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -44.59 94.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.933 1.697 . . . . 0.0 109.863 169.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -63.73 -50.22 69.99 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.682 1.193 . . . . 0.0 112.176 -175.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.8 -32.48 74.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.778 0.717 . . . . 0.0 112.285 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.72 -18.0 65.01 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.6 mt -65.23 -30.72 71.63 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 52.56 50.87 17.27 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.769 1.627 . . . . 0.0 114.06 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -74.18 161.15 30.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.932 1.293 . . . . 0.0 111.653 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.8 m -65.63 125.4 25.14 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.983 -1.073 . . . . 0.0 110.746 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 C-N-CA 126.679 1.992 . . . . 0.0 115.418 -174.453 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.743 0 CA-C-O 119.702 -0.499 . . . . 0.0 112.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -80.02 169.6 17.57 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.665 3.577 . . . . 0.0 111.404 169.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.1 mt -53.49 148.28 9.49 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.412 1.485 . . . . 0.0 114.638 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.81 15.99 69.66 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 116.334 1.294 . . . . 0.0 116.334 174.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -89.33 52.82 2.46 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.773 1.629 . . . . 0.0 113.312 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -68.47 -34.6 76.22 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -81.42 -2.51 49.74 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 56.53 38.24 29.47 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.626 1.97 . . . . 0.0 114.33 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.93 17.6 0.42 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.064 1.346 . . . . 0.0 113.113 169.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -155.37 157.12 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 129.861 3.264 . . . . 0.0 107.052 175.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -62.51 142.42 57.95 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.86 157.36 47.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.249 1.42 . . . . 0.0 111.094 -178.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -63.21 -26.17 68.67 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.23 -29.21 48.09 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.549 -0.719 . . . . 0.0 112.264 169.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -36.55 28.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.9 0.88 . . . . 0.0 110.848 -177.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -39.35 69.92 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.762 0.825 . . . . 0.0 111.239 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -14.87 9.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.405 1.482 . . . . 0.0 114.327 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -92.19 -41.93 10.17 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 125.814 1.646 . . . . 0.0 113.366 172.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.41 -40.53 82.7 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.959 -1.088 . . . . 0.0 111.649 178.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.89 -14.91 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.01 -44.23 16.93 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.96 -19.5 22.72 Favored Glycine 0 CA--C 1.543 1.816 0 O-C-N 121.832 -0.543 . . . . 0.0 113.35 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.76 -23.73 64.35 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.297 -1.12 . . . . 0.0 113.103 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.12 -34.69 13.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.065 1.746 . . . . 0.0 113.439 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.83 -59.72 2.76 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.944 -1.097 . . . . 0.0 110.063 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.08 -40.98 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.566 1.546 . . . . 0.0 111.795 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.5 t60 64.07 95.69 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.336 1.854 . . . . 0.0 114.592 -171.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.01 64.13 1.47 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.798 2.439 . . . . 0.0 112.354 173.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -159.81 86.54 0.78 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.586 1.184 . . . . 0.0 110.484 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.47 -24.67 63.82 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.706 -1.246 . . . . 0.0 111.284 -171.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -61.35 0.55 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.529 2.332 . . . . 0.0 114.504 171.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -120.83 -35.99 3.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 111.893 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.51 -36.86 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.934 0.894 . . . . 0.0 113.298 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -25.56 65.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -77.41 -28.89 52.8 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -74.61 -43.0 57.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.514 0.673 . . . . 0.0 111.353 -174.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.58 -45.5 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.302 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.72 85.53 0.07 OUTLIER Glycine 0 N--CA 1.475 1.236 0 CA-C-N 118.839 0.745 . . . . 0.0 114.497 170.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 p 52.43 27.26 4.78 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 127.251 2.22 . . . . 0.0 115.493 173.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -72.49 169.87 15.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.839 1.256 . . . . 0.0 112.534 -174.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -78.36 167.44 21.34 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.026 -1.046 . . . . 0.0 108.762 163.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.7 t -90.52 -19.54 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 O-C-N 120.092 -1.63 . . . . 0.0 113.106 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.7 t -52.87 -55.07 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.568 1.147 . . . . 0.0 114.032 -171.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.94 -35.21 80.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.782 2.033 . . . . 0.0 112.388 176.435 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mt -70.49 -35.41 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.442 -0.786 . . . . 0.0 111.013 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -65.31 -43.44 91.03 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.515 0.726 . . . . 0.0 112.501 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.5 p -70.09 -38.56 75.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.691 0.796 . . . . 0.0 112.479 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -33.29 64.12 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.94 -53.07 57.82 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 119.288 0.949 . . . . 0.0 111.086 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -45.76 -27.91 0.93 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.64 -36.81 84.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.688 1.131 . . . . 0.0 113.002 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -46.13 83.07 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.268 1.395 . . . . 0.0 109.485 171.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -69.2 -44.71 71.56 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.6 1.56 . . . . 0.0 112.158 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.1 mt -65.41 -41.8 93.2 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.018 0.927 . . . . 0.0 111.542 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -70.36 -33.62 71.66 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.3 tp -59.35 124.54 20.35 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.818 1.247 . . . . 0.0 112.196 -174.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.32 144.22 54.32 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.511 -0.743 . . . . 0.0 112.473 172.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -83.35 142.03 31.35 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.674 1.19 . . . . 0.0 113.554 -174.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.4 m 55.59 32.86 20.02 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.724 1.609 . . . . 0.0 113.205 171.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.311 1.445 . . . . 0.0 113.051 -169.623 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.102 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -60.83 168.78 6.58 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 125.23 3.953 . . . . 0.0 115.76 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -76.13 171.06 15.12 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.116 1.767 . . . . 0.0 112.549 169.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.62 -177.74 28.22 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 167.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -56.36 123.25 14.03 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.593 -0.945 . . . . 0.0 113.419 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -67.05 -17.09 64.74 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -74.44 -7.93 54.62 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.98 1.312 . . . . 0.0 114.468 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -100.97 160.6 14.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.938 1.695 . . . . 0.0 112.91 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -137.16 -18.12 1.33 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.177 1.391 . . . . 0.0 114.296 -172.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -84.98 141.98 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.615 1.166 . . . . 0.0 110.578 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -58.12 146.48 33.14 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t -154.66 156.31 36.22 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 127.13 2.172 . . . . 0.0 108.444 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.36 -37.6 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.335 1.88 . . . . 0.0 114.759 -169.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -18.29 64.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.606 -1.308 . . . . 0.0 113.303 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -89.28 -47.0 8.35 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.216 -0.927 . . . . 0.0 110.633 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -35.27 72.82 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.95 1.3 . . . . 0.0 111.362 -176.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.03 34.02 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 117.88 -1.057 . . . . 0.0 113.8 175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.13 -32.98 29.87 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.358 1.436 . . . . 0.0 113.509 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.51 -39.73 77.17 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.562 -0.711 . . . . 0.0 110.235 169.24 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.22 -17.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.778 1.231 . . . . 0.0 112.668 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -84.64 -45.65 12.28 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.287 1.035 . . . . 0.0 112.327 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 -16.85 29.66 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 113.608 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.99 -41.53 96.67 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.495 1.147 . . . . 0.0 111.324 170.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.0 61.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.327 1.451 . . . . 0.0 113.032 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.52 -66.11 0.91 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.072 0.851 . . . . 0.0 110.708 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.24 -19.39 36.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.88 -170.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 t60 59.54 80.31 0.2 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.295 1.438 . . . . 0.0 113.782 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? 61.38 60.42 1.71 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.013 2.125 . . . . 0.0 111.761 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -151.86 92.2 1.71 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.226 1.41 . . . . 0.0 110.077 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -68.39 -28.13 66.83 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.049 -1.032 . . . . 0.0 111.146 -170.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -62.26 4.06 0.15 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.716 2.406 . . . . 0.0 114.586 171.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -123.03 -34.34 3.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.767 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mt -52.54 -35.7 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.31 -0.869 . . . . 0.0 112.988 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -30.15 36.2 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -88.47 -14.61 37.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.913 1.285 . . . . 0.0 113.678 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -79.56 -46.09 17.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.757 0.823 . . . . 0.0 111.218 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.27 -44.85 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 124.262 1.025 . . . . 0.0 110.711 170.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.71 106.95 2.08 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.034 1.302 . . . . 0.0 115.433 169.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.262 71.5 p 58.64 24.01 11.61 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 127.714 2.405 . . . . 0.0 116.032 168.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -85.63 162.96 18.58 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.668 1.187 . . . . 0.0 113.44 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -77.56 160.57 28.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.508 1.123 . . . . 0.0 109.564 165.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.5 t -94.41 -13.8 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 O-C-N 120.684 -1.26 . . . . 0.0 113.718 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.81 -57.54 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 124.781 1.232 . . . . 0.0 113.513 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.44 -33.6 74.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.078 1.751 . . . . 0.0 112.286 175.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.42 -41.23 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 119.2 0.909 . . . . 0.0 111.236 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -63.59 -44.69 93.26 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.663 1.185 . . . . 0.0 110.391 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.5 m -67.11 -37.82 84.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.863 -1.517 . . . . 0.0 112.491 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.98 -31.58 50.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 171.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -56.42 -54.47 45.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.519 1.054 . . . . 0.0 109.989 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.93 -11.2 0.59 Allowed 'General case' 0 CA--C 1.559 1.307 0 O-C-N 119.53 -1.981 . . . . 0.0 116.02 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -80.27 -30.64 38.4 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.124 1.369 . . . . 0.0 113.429 168.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -39.69 80.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.759 1.618 . . . . 0.0 109.942 169.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.33 -44.37 88.01 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.918 0.887 . . . . 0.0 112.845 -172.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.51 1.71 7.61 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.049 1.499 . . . . 0.0 115.049 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -102.95 -43.98 5.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.576 1.551 . . . . 0.0 110.728 168.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.53 -44.05 65.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.704 1.202 . . . . 0.0 113.757 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -97.15 159.99 14.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.4 1.48 . . . . 0.0 110.655 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.91 -13.28 62.34 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 t -63.71 153.93 34.73 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.363 0 C-N-CA 127.039 2.136 . . . . 0.0 112.792 178.496 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.991 0 CA-C-O 119.369 -0.684 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -74.9 152.45 41.32 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.279 3.319 . . . . 0.0 113.694 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.6 mt -115.02 10.36 16.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.214 1.406 . . . . 0.0 114.103 -173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 -7.57 51.32 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 -174.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -54.14 -32.37 55.02 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.459 1.629 . . . . 0.0 114.099 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -70.39 -2.38 13.54 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -133.45 25.8 4.11 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.633 1.573 . . . . 0.0 113.403 -175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.89 154.19 7.59 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.776 2.03 . . . . 0.0 115.663 -174.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -91.23 24.27 2.97 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.127 2.171 . . . . 0.0 113.652 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.45 156.95 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.434 1.494 . . . . 0.0 111.439 -170.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -74.55 139.27 43.64 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 175.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -146.8 162.77 37.91 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.214 2.206 . . . . 0.0 109.557 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.98 -31.35 72.21 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.111 1.323 . . . . 0.0 113.325 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.58 -18.6 61.05 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.996 -1.065 . . . . 0.0 113.349 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.24 -38.61 13.31 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -36.52 80.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.967 -1.083 . . . . 0.0 111.706 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.3 -9.4 2.23 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -95.19 -44.95 7.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.664 1.585 . . . . 0.0 112.251 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.52 -40.06 71.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.546 0.738 . . . . 0.0 111.927 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.53 -18.54 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.304 1.441 . . . . 0.0 112.557 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.24 -46.71 10.78 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.576 1.151 . . . . 0.0 111.67 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.54 -20.17 37.22 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.897 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -36.71 79.88 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.183 0.991 . . . . 0.0 111.804 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.54 44.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.761 1.224 . . . . 0.0 113.254 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.52 -57.27 3.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.933 1.293 . . . . 0.0 111.677 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.41 -22.99 21.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 52.64 89.0 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.659 1.984 . . . . 0.0 113.301 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.0 tptp 56.66 66.32 1.21 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.43 1.892 . . . . 0.0 110.524 171.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -161.33 83.98 0.64 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.055 1.742 . . . . 0.0 110.075 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -64.62 -26.68 68.5 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.167 -1.583 . . . . 0.0 112.304 -172.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.48 -2.26 0.31 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 128.761 2.824 . . . . 0.0 114.263 173.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -118.61 -28.48 5.65 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.272 1.029 . . . . 0.0 112.654 170.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.16 -34.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.264 -0.898 . . . . 0.0 112.217 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -23.08 46.33 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 175.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.71 -29.91 51.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.635 1.174 . . . . 0.0 113.681 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -82.4 -40.05 21.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.032 0.92 . . . . 0.0 112.117 -169.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.66 -34.41 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.634 169.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.95 17.78 49.98 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.18 0.895 . . . . 0.0 114.816 -172.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -69.52 -27.58 65.3 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 118.725 1.263 . . . . 0.0 112.871 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt 65.51 -38.78 0.27 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.246 2.618 . . . . 0.0 115.624 -172.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.3 p -91.08 152.47 20.61 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.343 2.257 . . . . 0.0 113.118 170.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.71 -16.02 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 126.621 1.968 . . . . 0.0 113.558 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.37 -46.63 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-N 119.813 1.188 . . . . 0.0 113.293 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.99 -35.27 69.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.614 1.966 . . . . 0.0 114.096 175.661 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.93 -37.27 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 120.873 -1.142 . . . . 0.0 111.688 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -56.95 -47.7 80.06 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.348 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 p -74.78 -36.3 62.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.485 1.514 . . . . 0.0 113.5 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -32.24 61.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.808 0.731 . . . . 0.0 112.748 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.36 -52.19 60.03 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.64 0.776 . . . . 0.0 110.577 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -44.38 -30.57 0.86 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -65.81 -30.06 70.63 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.462 -1.399 . . . . 0.0 114.55 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -43.2 94.4 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 121.205 1.821 . . . . 0.0 110.44 169.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -69.21 -39.46 78.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.794 2.038 . . . . 0.0 112.949 -171.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.42 -28.82 69.51 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.637 1.175 . . . . 0.0 112.788 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.53 -27.53 51.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.89 -34.15 73.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.333 0.969 . . . . 0.0 112.522 171.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.89 163.55 14.17 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.151 0.98 . . . . 0.0 112.52 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -59.47 160.33 7.05 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.031 0.932 . . . . 0.0 112.468 169.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.7 p -71.74 -25.35 62.02 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.266 1.926 0 C-N-CA 127.264 2.226 . . . . 0.0 115.199 172.779 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 CA-C-O 119.311 -0.716 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -66.03 154.21 74.98 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 124.398 3.399 . . . . 0.0 115.504 -174.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.28 136.38 58.02 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.317 1.047 . . . . 0.0 111.744 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.52 -150.25 44.77 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.152 0.882 . . . . 0.0 113.452 -174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -148.8 140.95 23.96 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.237 1.015 . . . . 0.0 112.502 176.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -78.75 -9.48 59.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.883 1.273 . . . . 0.0 113.629 169.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -124.93 84.29 2.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.213 1.405 . . . . 0.0 108.954 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -118.59 151.46 37.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.107 1.363 . . . . 0.0 112.276 -171.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -58.03 147.23 30.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.231 1.412 . . . . 0.0 112.778 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.8 p -64.63 -14.87 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.822 1.649 . . . . 0.0 115.435 -169.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -69.14 142.57 54.34 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -172.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -131.93 161.41 33.13 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.06 1.744 . . . . 0.0 109.508 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.21 -37.39 87.05 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.671 -1.268 . . . . 0.0 110.639 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -29.45 68.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.679 1.191 . . . . 0.0 113.587 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.71 -28.0 30.82 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.998 -1.064 . . . . 0.0 111.124 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -40.61 71.04 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.389 -0.82 . . . . 0.0 111.483 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -9.01 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.435 1.894 . . . . 0.0 115.049 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -95.18 -44.43 7.63 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.988 1.315 . . . . 0.0 112.138 171.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.94 -40.23 79.99 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.132 -0.98 . . . . 0.0 111.203 -179.279 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.23 -16.34 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.499 1.119 . . . . 0.0 113.608 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.77 -46.71 12.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.706 1.203 . . . . 0.0 111.784 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -19.71 30.28 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.096 -0.835 . . . . 0.0 113.333 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.49 -35.58 79.79 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.912 1.356 . . . . 0.0 111.804 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.34 -28.41 47.24 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.36 1.464 . . . . 0.0 113.493 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.39 -51.29 6.02 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.159 1.384 . . . . 0.0 112.326 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -99.41 -16.17 18.49 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.5 t60 53.9 79.0 0.14 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.629 1.572 . . . . 0.0 113.764 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? 58.2 73.16 0.48 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.981 2.112 . . . . 0.0 110.714 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -160.09 83.81 0.72 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 123.071 1.415 . . . . 0.0 110.154 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -66.7 -29.93 70.04 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.347 -1.471 . . . . 0.0 111.164 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.2 6.37 0.42 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.66 1.984 . . . . 0.0 113.768 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -118.35 -38.57 3.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.547 1.539 . . . . 0.0 111.173 166.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.74 -36.14 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.228 0.922 . . . . 0.0 112.684 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -33.54 47.4 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.83 -27.69 57.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.848 1.259 . . . . 0.0 111.815 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.87 -46.83 28.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.829 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.45 -51.54 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 117.38 -1.295 . . . . 0.0 112.884 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.38 21.36 0.05 OUTLIER Glycine 0 N--CA 1.482 1.708 0 N-CA-C 120.369 2.907 . . . . 0.0 120.369 -168.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.3 p 56.11 31.08 17.52 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 120.216 2.008 . . . . 0.0 113.746 -173.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.44 -178.32 7.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.79 2.436 . . . . 0.0 114.485 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 p -72.33 169.68 15.77 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.198 1.799 . . . . 0.0 110.466 165.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t -103.51 -21.94 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 120.895 -1.128 . . . . 0.0 113.909 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -50.15 -46.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.62 1.168 . . . . 0.0 113.525 -172.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.466 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -63.33 -35.86 81.79 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.93 1.292 . . . . 0.0 113.233 175.217 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mt -71.2 -34.4 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.273 -0.892 . . . . 0.0 110.52 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -61.86 -43.81 98.1 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.077 0.853 . . . . 0.0 113.13 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -77.61 -34.53 53.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.589 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -72.62 -32.27 65.79 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.892 1.223 . . . . 0.0 113.511 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -50.12 -51.51 42.59 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.811 0.844 . . . . 0.0 110.652 173.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 -26.99 1.73 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.78 -35.06 73.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.118 -1.614 . . . . 0.0 113.22 170.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -38.21 77.76 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.741 1.155 . . . . 0.0 110.515 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -75.15 -33.42 61.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.678 1.191 . . . . 0.0 112.579 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.31 -46.57 82.99 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.295 0.638 . . . . 0.0 111.95 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.93 -26.12 53.68 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.73 131.54 50.62 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.847 1.259 . . . . 0.0 110.057 172.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -58.72 133.76 56.22 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.998 0.519 . . . . 0.0 111.033 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.22 128.78 37.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.996 0.918 . . . . 0.0 112.036 -172.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -153.77 132.97 12.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.032 0.933 . . . . 0.0 111.146 169.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.436 -1.269 . . . . 0.0 112.157 176.279 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.837 0 CA-C-O 118.508 -1.162 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -76.71 -4.98 15.6 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 123.497 2.798 . . . . 0.0 115.473 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 65.43 150.21 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 128.19 2.596 . . . . 0.0 113.998 -168.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.67 -172.79 31.51 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.389 0.995 . . . . 0.0 114.797 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -73.46 139.64 45.94 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.827 -0.808 . . . . 0.0 112.468 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -78.0 158.07 29.41 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.435 1.094 . . . . 0.0 110.099 168.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -74.85 35.63 0.1 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.508 1.923 . . . . 0.0 114.736 -173.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -124.57 142.12 51.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.675 2.79 . . . . 0.0 109.474 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -85.99 -20.01 29.52 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.96 135.52 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.183 1.393 . . . . 0.0 111.95 -176.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -75.7 145.29 41.03 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -140.01 166.96 23.23 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.975 1.71 . . . . 0.0 109.111 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -69.78 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.933 -1.104 . . . . 0.0 113.211 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.51 -23.91 50.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.943 0.897 . . . . 0.0 113.092 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -87.37 -40.96 13.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.259 1.024 . . . . 0.0 110.262 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -36.73 74.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.299 -0.876 . . . . 0.0 111.994 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.43 -14.89 2.17 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.31 1.444 . . . . 0.0 114.33 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.68 -36.86 10.12 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.152 1.342 . . . . 0.0 113.082 172.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -39.14 74.45 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.55 -1.344 . . . . 0.0 112.164 174.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.45 -7.96 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.12 -49.26 7.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.876 1.271 . . . . 0.0 112.382 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.96 31.52 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-N 118.095 0.407 . . . . 0.0 113.32 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.13 -29.21 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.958 0.903 . . . . 0.0 112.744 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.84 -9.74 28.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.692 1.997 . . . . 0.0 113.942 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.95 -65.54 0.96 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -82.73 -26.37 32.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.641 1.176 . . . . 0.0 113.413 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 56.23 92.21 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.154 1.781 . . . . 0.0 113.794 -173.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? 57.82 62.7 2.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.705 2.002 . . . . 0.0 112.708 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -156.06 80.55 0.99 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.944 1.297 . . . . 0.0 109.708 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -64.29 -28.39 69.68 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.25 -1.531 . . . . 0.0 111.567 -171.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -56.69 -5.32 0.21 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.325 2.65 . . . . 0.0 114.604 170.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -117.26 -28.25 6.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.752 1.221 . . . . 0.0 112.667 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mt -59.29 -31.96 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.164 0.986 . . . . 0.0 112.31 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -29.78 47.32 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 172.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.77 -24.33 52.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -78.72 -47.29 17.17 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.088 -1.007 . . . . 0.0 110.776 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.97 -38.53 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 111.772 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.23 101.01 2.4 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.72 1.152 . . . . 0.0 113.422 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m 50.8 59.27 4.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.833 2.453 . . . . 0.0 113.489 171.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -112.2 155.11 24.52 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.103 0.961 . . . . 0.0 113.191 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.09 154.87 40.77 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.347 1.059 . . . . 0.0 108.869 164.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -87.25 -21.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 120.013 -1.679 . . . . 0.0 113.41 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -49.27 -53.06 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-N 120.798 1.636 . . . . 0.0 115.041 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.509 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.53 -34.45 77.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.804 1.241 . . . . 0.0 112.053 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.09 -40.32 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.377 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.6 ttp85 -66.97 -36.64 82.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.701 1.201 . . . . 0.0 112.248 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -47.29 73.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 113.103 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -25.49 39.12 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -176.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.43 31.2 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -50.86 -24.31 3.46 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -66.26 -36.51 83.17 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.645 -1.284 . . . . 0.0 112.549 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -38.46 72.79 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.866 1.666 . . . . 0.0 112.048 172.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -69.5 -47.82 62.59 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.567 1.547 . . . . 0.0 111.29 -176.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.03 -40.69 98.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.748 0.819 . . . . 0.0 112.563 175.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -77.33 -14.83 59.65 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.53 1.532 . . . . 0.0 114.371 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.31 112.62 2.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.11 1.364 . . . . 0.0 113.427 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -81.52 121.05 25.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.249 1.02 . . . . 0.0 109.451 168.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -142.7 157.22 44.89 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.147 1.779 . . . . 0.0 113.017 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.7 t -63.31 155.4 28.74 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.303 1.841 . . . . 0.0 114.196 -172.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.748 2.819 . . . . 0.0 115.826 -176.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.636 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.87 170.38 6.06 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 125.294 3.996 . . . . 0.0 115.121 -174.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.71 122.57 11.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.351 1.06 . . . . 0.0 112.166 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.76 132.16 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.338 1.446 . . . . 0.0 111.579 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -76.81 137.89 39.51 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.2 0.6 . . . . 0.0 112.127 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.05 -37.34 76.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.771 1.628 . . . . 0.0 111.941 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -145.2 -62.07 0.35 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.636 1.974 . . . . 0.0 111.694 168.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -144.59 -29.22 0.47 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.253 1.421 . . . . 0.0 114.062 -175.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.24 150.38 21.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.236 1.014 . . . . 0.0 112.627 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.8 m -83.95 3.13 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -71.7 160.12 33.2 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.235 1.414 . . . . 0.0 113.817 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -139.97 160.58 39.59 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.223 1.809 . . . . 0.0 109.56 172.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.46 -22.76 64.56 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.972 -1.08 . . . . 0.0 113.296 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.54 -18.58 40.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 169.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -41.51 11.31 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.07 0.948 . . . . 0.0 109.235 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.07 81.95 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.286 -0.884 . . . . 0.0 111.434 176.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.35 -8.89 1.92 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.776 1.631 . . . . 0.0 114.888 172.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -100.4 -36.65 9.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.9 1.68 . . . . 0.0 112.578 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -39.93 69.05 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.363 -0.836 . . . . 0.0 110.664 169.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.82 -16.28 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 126.391 1.876 . . . . 0.0 114.098 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.65 -51.39 6.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.954 1.302 . . . . 0.0 111.388 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.64 -15.13 32.0 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.135 -0.814 . . . . 0.0 113.356 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.42 -45.61 88.11 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.579 1.19 . . . . 0.0 110.703 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.73 63.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.01 1.724 . . . . 0.0 113.432 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -79.91 -58.68 3.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.912 0.885 . . . . 0.0 111.004 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -88.71 -14.19 37.86 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 t60 63.03 74.1 0.44 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.288 1.035 . . . . 0.0 111.906 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HE2' ' CZ ' ' A' ' 52' ' ' TYR . 30.7 mmtp 55.11 63.51 2.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.474 2.31 . . . . 0.0 111.977 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -146.77 84.4 1.61 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.859 1.264 . . . . 0.0 108.328 -168.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -63.77 -32.69 74.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.129 1.372 . . . . 0.0 111.044 -169.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -58.24 -3.33 0.25 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.301 2.241 . . . . 0.0 113.807 170.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -116.75 -36.4 3.9 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.336 1.454 . . . . 0.0 112.116 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.2 mt -53.48 -38.19 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.973 0.909 . . . . 0.0 113.053 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.63 -32.72 52.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.88 -20.01 56.77 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.065 0.946 . . . . 0.0 113.265 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -78.63 -41.78 30.6 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.556 0.742 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.77 -40.76 61.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.47 15.41 0.02 OUTLIER Glycine 0 CA--C 1.541 1.719 0 N-CA-C 118.564 2.186 . . . . 0.0 118.564 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.279 21.6 p 63.66 27.59 14.86 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 119.86 1.83 . . . . 0.0 114.139 -170.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -68.39 -176.41 0.76 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 129.107 2.963 . . . . 0.0 113.543 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 p -72.37 170.4 14.28 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 121.089 -1.007 . . . . 0.0 111.916 168.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -99.08 -19.19 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 125.078 1.351 . . . . 0.0 112.913 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -48.52 -47.13 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 125.613 1.565 . . . . 0.0 113.7 -174.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.5 -38.63 87.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.085 1.754 . . . . 0.0 112.667 176.28 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.3 mt -69.1 -34.64 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 121.44 -0.787 . . . . 0.0 110.728 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -59.95 -42.7 94.6 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 p -80.4 -43.84 20.36 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 113.217 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -28.58 65.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.405 1.457 . . . . 0.0 112.757 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.27 78.48 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.022 -1.049 . . . . 0.0 110.207 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.0 -20.0 3.1 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 119.998 -1.688 . . . . 0.0 114.9 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -73.68 -34.67 64.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.733 1.213 . . . . 0.0 113.752 169.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -54.39 -42.22 70.13 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.805 1.639 . . . . 0.0 110.521 171.57 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -69.45 -44.47 71.19 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.95 -25.88 63.85 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.551 0.614 . . . . 0.0 112.531 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -65.99 -28.33 68.81 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.089 0.955 . . . . 0.0 112.801 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mp -88.56 -14.46 37.59 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.117 1.767 . . . . 0.0 113.319 171.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -73.45 -21.76 60.37 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.654 1.116 . . . . 0.0 112.618 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.5 151.27 37.91 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.703 1.201 . . . . 0.0 111.979 169.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.3 p -62.99 133.88 55.3 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.521 0.728 . . . . 0.0 111.748 170.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 124.902 1.281 . . . . 0.0 112.007 177.658 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -62.89 131.33 32.53 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.671 2.248 . . . . 0.0 110.418 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.04 -25.21 66.15 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -169.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.02 34.9 91.17 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.225 0.917 . . . . 0.0 114.943 171.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -70.18 137.73 51.21 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.29 1.045 . . . . 0.0 111.566 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -163.86 148.84 10.58 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.15 1.78 . . . . 0.0 110.36 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -57.36 127.63 32.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.017 0.927 . . . . 0.0 110.855 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -135.63 3.02 2.99 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.354 1.862 . . . . 0.0 113.997 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -78.04 176.91 8.73 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.518 2.327 . . . . 0.0 114.193 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -47.1 149.31 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 127.972 2.509 . . . . 0.0 114.836 175.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -49.07 148.2 2.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.01 1.724 . . . . 0.0 114.755 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -119.44 157.9 27.31 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.339 1.056 . . . . 0.0 111.287 168.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -66.84 0.8 2.19 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.56 -16.25 5.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 113.229 169.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.76 -27.3 61.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.432 -1.418 . . . . 0.0 109.931 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -53.14 -33.22 51.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.324 1.049 . . . . 0.0 111.546 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -12.56 20.21 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 113.743 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -85.74 -39.15 17.49 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.956 1.702 . . . . 0.0 111.936 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.32 -40.0 70.64 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 121.083 -1.011 . . . . 0.0 110.677 169.634 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.45 -20.82 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.017 1.727 . . . . 0.0 112.751 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -82.97 -42.43 17.6 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.904 -1.122 . . . . 0.0 112.101 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.47 -20.78 52.55 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.024 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.16 -18.51 64.63 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.759 1.28 . . . . 0.0 112.689 173.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.9 -25.43 16.57 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.267 1.427 . . . . 0.0 113.571 170.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt -86.28 -51.05 6.5 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.992 1.317 . . . . 0.0 113.105 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -100.77 -4.83 27.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.647 1.579 . . . . 0.0 113.236 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.0 t60 68.92 -62.62 0.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.519 2.727 . . . . 0.0 115.221 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 70.81 0.3 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.562 1.545 . . . . 0.0 110.46 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -157.76 99.96 1.73 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.008 1.385 . . . . 0.0 110.537 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -64.37 -22.85 67.09 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.691 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -72.36 6.52 2.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.78 1.632 . . . . 0.0 113.288 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -124.45 -29.02 3.55 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.574 1.55 . . . . 0.0 112.318 170.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -56.12 -28.67 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.477 0.711 . . . . 0.0 112.61 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -34.56 60.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.27 -27.91 60.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.461 1.105 . . . . 0.0 113.717 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -78.56 -44.94 22.95 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.355 -0.84 . . . . 0.0 111.183 -170.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.92 -50.97 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.578 1.551 . . . . 0.0 110.361 169.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.51 122.81 3.9 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.603 2.049 . . . . 0.0 114.299 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m 59.27 46.41 12.85 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.882 2.073 . . . . 0.0 114.15 168.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -101.16 169.26 9.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.884 1.273 . . . . 0.0 113.657 173.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 p -105.19 5.75 32.45 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 126.775 2.03 . . . . 0.0 113.574 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.353 0.8 OUTLIER 61.65 -19.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 129.22 3.008 . . . . 0.0 116.01 -167.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.9 -40.0 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.927 1.694 . . . . 0.0 112.165 -175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.29 62.0 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.65 1.18 . . . . 0.0 112.473 174.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -64.55 -39.42 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.008 -1.057 . . . . 0.0 110.857 173.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -57.41 -46.63 83.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.432 1.093 . . . . 0.0 112.164 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.7 p -74.63 -40.71 61.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.643 1.177 . . . . 0.0 112.811 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.24 -35.48 79.65 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.967 173.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.32 -56.65 16.33 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.365 1.066 . . . . 0.0 110.813 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -43.74 -30.34 0.63 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.57 -37.12 86.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -43.85 78.87 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.365 1.439 . . . . 0.0 109.987 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.98 -33.34 71.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.227 1.011 . . . . 0.0 113.08 -175.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.78 -42.54 85.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.73 -0.606 . . . . 0.0 111.597 170.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -75.27 -25.69 58.2 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -59.5 -44.52 93.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.228 1.811 . . . . 0.0 112.482 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.17 123.39 18.04 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.547 1.139 . . . . 0.0 111.555 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -86.09 40.73 0.88 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.574 1.95 . . . . 0.0 112.114 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.1 m 55.09 64.1 1.9 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.009 2.124 . . . . 0.0 111.4 -169.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.449 0 C-N-CA 126.827 2.051 . . . . 0.0 111.708 -178.538 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.885 0 CA-C-O 118.391 -1.227 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -68.13 152.12 76.59 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.076 3.184 . . . . 0.0 112.411 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.2 148.8 45.21 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.136 0.974 . . . . 0.0 112.161 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -34.89 91.12 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.18 -0.95 . . . . 0.0 113.37 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -75.57 6.5 4.68 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.53 135.89 57.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.832 1.253 . . . . 0.0 112.097 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -159.63 -179.66 8.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.582 2.353 . . . . 0.0 110.94 172.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -136.15 169.49 17.54 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.974 1.71 . . . . 0.0 112.898 167.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.39 -0.58 57.59 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.495 2.318 . . . . 0.0 114.44 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.6 m -137.3 152.52 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 127.33 2.252 . . . . 0.0 109.282 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -68.95 143.49 54.41 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.885 1.221 . . . . 0.0 113.036 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.05 160.62 40.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.702 1.601 . . . . 0.0 109.827 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -66.22 -24.32 66.58 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.88 64.73 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 112.238 169.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.92 -34.72 24.44 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.166 0.987 . . . . 0.0 110.902 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -36.11 68.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 111.652 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -16.95 3.62 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.451 1.5 . . . . 0.0 114.712 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -92.52 -39.46 11.36 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.796 1.18 . . . . 0.0 113.266 172.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -56.38 -39.99 73.86 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.256 -0.903 . . . . 0.0 111.843 176.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -65.52 -18.41 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -83.08 -43.7 15.99 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 123.898 0.879 . . . . 0.0 111.955 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.91 -23.28 14.86 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.69 -0.506 . . . . 0.0 113.238 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.78 -35.58 80.32 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.423 1.111 . . . . 0.0 111.665 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.61 -24.32 42.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.387 1.475 . . . . 0.0 114.506 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 mt -87.66 -42.61 12.54 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.461 1.104 . . . . 0.0 112.743 -176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.59 -16.03 12.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.814 1.245 . . . . 0.0 114.027 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 t60 56.15 67.4 1.01 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.863 1.265 . . . . 0.0 114.404 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.95 72.9 0.35 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.903 2.081 . . . . 0.0 112.235 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -159.6 86.27 0.79 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.671 1.588 . . . . 0.0 110.093 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -66.98 -27.38 67.39 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.028 -1.67 . . . . 0.0 111.498 -171.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -60.16 3.42 0.07 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.531 2.332 . . . . 0.0 114.279 169.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -123.1 -28.8 3.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.477 1.511 . . . . 0.0 111.717 169.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.66 -34.84 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.175 -0.953 . . . . 0.0 112.786 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -32.88 52.69 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 173.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.1 -32.9 72.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.841 0.857 . . . . 0.0 113.259 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -80.13 -42.64 23.12 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 122.507 1.146 . . . . 0.0 111.09 -170.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.24 -39.39 64.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.765 170.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.64 75.01 0.06 OUTLIER Glycine 0 N--CA 1.482 1.737 0 N-CA-C 117.33 1.692 . . . . 0.0 117.33 168.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m 57.17 24.67 10.03 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 127.068 2.147 . . . . 0.0 114.524 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -68.29 170.95 7.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.506 1.923 . . . . 0.0 113.718 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 p -79.13 162.08 26.04 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 164.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t -91.02 -18.49 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 120.983 -1.073 . . . . 0.0 113.794 -175.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.17 -58.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 119.679 1.127 . . . . 0.0 113.877 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.545 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.26 -34.02 77.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.062 2.145 . . . . 0.0 112.624 175.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.33 -36.17 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.408 -0.807 . . . . 0.0 110.692 175.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -61.28 -46.37 90.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.182 0.901 . . . . 0.0 111.783 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.1 m -67.36 -32.56 73.57 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -39.84 41.43 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.843 0.747 . . . . 0.0 112.707 171.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.65 -57.59 8.74 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.099 0.96 . . . . 0.0 111.008 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -45.84 -23.85 0.32 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -69.19 -33.27 73.09 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.828 1.195 . . . . 0.0 113.716 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -37.92 68.42 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.226 1.375 . . . . 0.0 111.254 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -66.61 -27.71 67.92 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.585 1.554 . . . . 0.0 112.341 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.1 -23.42 54.94 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.257 1.023 . . . . 0.0 112.779 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -85.71 -8.77 57.97 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.562 1.945 . . . . 0.0 114.569 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.9 mt -57.57 151.91 16.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.33 1.452 . . . . 0.0 113.667 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.7 t30 46.01 52.73 9.79 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.094 1.757 . . . . 0.0 114.054 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt 60.01 46.39 10.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.561 1.545 . . . . 0.0 112.902 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.1 m 55.21 49.32 17.5 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.824 1.649 . . . . 0.0 111.437 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.503 1.521 . . . . 0.0 114.501 -174.633 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.124 0 CA-C-O 117.858 -1.523 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.78 146.31 95.91 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.528 2.819 . . . . 0.0 115.752 -171.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.9 141.58 58.19 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.946 0.898 . . . . 0.0 111.371 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.82 12.37 80.93 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.419 1.009 . . . . 0.0 115.344 -178.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -72.47 -8.92 57.59 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -170.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -82.74 -46.66 12.88 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 120.586 1.539 . . . . 0.0 113.776 176.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -61.5 132.07 52.21 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.367 0.985 . . . . 0.0 111.157 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.7 ttm105 -156.56 53.26 0.53 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.283 1.433 . . . . 0.0 111.332 -171.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -121.46 -23.12 5.73 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.866 1.666 . . . . 0.0 112.375 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.21 156.12 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 126.91 2.084 . . . . 0.0 113.427 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -68.1 154.18 42.21 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 169.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -135.4 158.86 43.31 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.91 1.284 . . . . 0.0 110.278 170.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -61.44 -13.25 18.93 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.2 -9.56 15.01 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.624 1.57 . . . . 0.0 113.431 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.79 -29.14 15.51 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.235 -0.916 . . . . 0.0 111.529 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -35.26 63.97 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.07 -1.019 . . . . 0.0 111.703 174.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.8 51.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.944 1.297 . . . . 0.0 113.472 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.32 -39.75 59.13 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.741 1.216 . . . . 0.0 112.664 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -59.67 -39.33 84.1 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.242 -0.912 . . . . 0.0 110.942 177.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.8 -20.91 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 125.188 1.395 . . . . 0.0 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.66 -44.49 18.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.915 -1.116 . . . . 0.0 112.35 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.54 -18.99 39.7 Favored Glycine 0 CA--C 1.539 1.549 0 O-C-N 121.817 -0.552 . . . . 0.0 112.724 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.42 -29.37 68.84 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 118.055 0.927 . . . . 0.0 111.998 172.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.03 -35.71 42.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 113.02 170.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.82 -58.44 3.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.833 0.853 . . . . 0.0 111.57 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.74 -35.39 14.92 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.593 1.557 . . . . 0.0 113.013 -174.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.2 t60 61.63 94.41 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.013 2.125 . . . . 0.0 114.914 -173.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.26 58.82 2.49 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.839 2.055 . . . . 0.0 112.876 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -154.93 84.86 1.09 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.287 1.435 . . . . 0.0 109.641 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.5 -26.73 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 120.48 -1.387 . . . . 0.0 111.177 -171.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -57.82 -4.23 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.731 2.813 . . . . 0.0 114.594 170.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -118.09 -33.45 4.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.209 1.404 . . . . 0.0 112.117 172.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.39 -32.19 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.858 0.863 . . . . 0.0 112.911 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -25.9 60.51 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -71.63 -40.23 69.89 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.858 0.863 . . . . 0.0 112.519 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.95 -41.65 61.7 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.36 0.664 . . . . 0.0 112.05 -167.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.79 -20.99 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 125.264 1.425 . . . . 0.0 113.49 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.94 61.55 0.1 Allowed Glycine 0 N--CA 1.474 1.226 0 CA-C-N 119.289 0.95 . . . . 0.0 115.201 169.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m 52.7 54.04 11.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.651 1.58 . . . . 0.0 113.087 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -101.64 -177.25 3.37 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.562 1.945 . . . . 0.0 112.961 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 p -83.03 163.23 21.1 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.466 1.907 . . . . 0.0 110.639 165.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -89.81 -21.11 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.292 -1.505 . . . . 0.0 113.914 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.96 -49.08 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 125.308 1.443 . . . . 0.0 114.804 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.73 -37.29 79.34 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.657 1.983 . . . . 0.0 112.488 177.151 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -65.06 -37.97 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.306 -0.871 . . . . 0.0 110.029 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -37.34 71.94 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.717 1.207 . . . . 0.0 112.563 -177.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -81.14 -45.85 15.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.166 1.386 . . . . 0.0 113.285 174.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -33.22 73.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.057 0.844 . . . . 0.0 113.209 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.56 -58.84 5.49 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 124.021 0.928 . . . . 0.0 110.473 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -44.59 -28.2 0.56 Allowed 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 175.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -65.35 -37.09 86.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 117.258 -1.353 . . . . 0.0 114.441 172.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -44.27 84.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.311 1.414 . . . . 0.0 109.554 172.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.63 -46.13 80.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.652 1.181 . . . . 0.0 111.398 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.36 -37.85 88.86 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.873 1.269 . . . . 0.0 113.049 173.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -69.01 -43.58 74.53 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.159 0.584 . . . . 0.0 111.843 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mp -75.84 -10.43 59.43 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -52.43 132.06 34.27 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.065 1.346 . . . . 0.0 112.082 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 48.03 54.41 10.15 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.267 1.827 . . . . 0.0 113.351 173.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.3 m -138.97 157.61 45.7 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.204 1.402 . . . . 0.0 111.715 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.322 1.849 . . . . 0.0 110.83 169.551 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -65.0 -31.05 72.1 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.753 -1.217 . . . . 0.0 113.621 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.97 -27.14 36.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.591 1.156 . . . . 0.0 113.079 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.08 -37.67 33.32 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.857 1.263 . . . . 0.0 110.335 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 35.2 t60 -48.08 -54.31 13.59 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 126.973 2.109 . . . . 0.0 110.513 175.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -73.56 4.25 5.16 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.91 -36.22 25.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.363 1.065 . . . . 0.0 108.982 162.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.87 -35.88 58.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.495 -1.378 . . . . 0.0 111.617 171.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.469 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -70.83 -12.13 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.101 1.361 . . . . 0.0 110.871 -168.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.91 -53.13 5.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 126.745 2.018 . . . . 0.0 110.635 172.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.8 -22.14 25.32 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.909 0.766 . . . . 0.0 114.403 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.82 -31.35 71.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.849 1.325 . . . . 0.0 111.669 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -44.19 12.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.793 1.637 . . . . 0.0 112.718 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 mt -69.52 -42.25 74.95 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 121.05 -1.032 . . . . 0.0 111.748 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -100.23 -19.87 16.19 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 t60 55.58 82.67 0.1 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.95 1.3 . . . . 0.0 112.887 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.24 61.7 2.45 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.361 1.465 . . . . 0.0 110.657 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -153.6 79.4 1.15 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 123.251 1.501 . . . . 0.0 109.796 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.596 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.7 m95 -64.4 -27.8 69.25 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.556 -1.34 . . . . 0.0 111.786 -169.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.54 5.47 0.19 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.992 2.517 . . . . 0.0 114.15 171.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -123.39 -29.43 3.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.906 1.283 . . . . 0.0 112.423 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.94 -43.52 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.535 1.134 . . . . 0.0 112.695 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -20.79 59.93 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -78.55 -30.8 47.08 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -75.28 -43.63 50.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 122.648 1.214 . . . . 0.0 111.491 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.45 -42.22 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.684 171.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 C-N-CA 124.848 1.213 . . . . 0.0 111.846 170.188 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 CA--C 1.548 0.876 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.97 -55.62 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 125.614 1.566 . . . . 0.0 114.874 -171.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.48 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.94 -27.85 62.09 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.332 1.053 . . . . 0.0 111.568 177.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mt -69.54 -40.91 80.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.514 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.479 176.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -66.02 -42.44 89.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.385 1.448 . . . . 0.0 111.863 -174.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.6 p -69.21 -32.89 72.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -80.76 -23.69 39.17 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.596 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -73.64 -5.03 37.91 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.415 1.578 . . . . 0.0 113.212 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.45 -37.17 13.34 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 127.584 2.353 . . . . 0.0 110.831 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -65.18 -38.63 91.12 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 117.312 -1.327 . . . . 0.0 113.16 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 2.0 p90 -56.6 -39.92 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.138 1.335 . . . . 0.0 111.21 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 111.481 -175.011 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 119.701 -0.19 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -71.46 -42.67 67.87 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.316 -0.865 . . . . 0.0 112.863 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.02 62.25 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.654 -0.654 . . . . 0.0 112.709 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.18 -38.38 24.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.704 0.802 . . . . 0.0 110.32 173.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.04 70.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.31 0.644 . . . . 0.0 111.441 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.71 -26.33 33.05 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.599 1.16 . . . . 0.0 113.645 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.29 -37.77 18.22 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.752 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.61 -39.1 79.5 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.404 -0.81 . . . . 0.0 110.617 173.515 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.78 -24.79 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.829 1.252 . . . . 0.0 112.491 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.57 -46.27 17.63 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 123.762 0.825 . . . . 0.0 111.432 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.64 -22.0 23.7 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 123.477 0.56 . . . . 0.0 113.55 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.96 -29.13 69.47 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.451 1.126 . . . . 0.0 112.559 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.41 -30.09 19.74 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.138 1.775 . . . . 0.0 113.118 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.27 -58.47 3.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.035 -1.04 . . . . 0.0 110.42 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -91.7 -33.18 15.15 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -169.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 60.05 100.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.498 2.319 . . . . 0.0 115.934 -169.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.78 60.84 3.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.71 2.404 . . . . 0.0 111.885 169.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.53 79.63 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.547 1.539 . . . . 0.0 109.648 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.87 -28.21 69.39 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 119.854 -1.778 . . . . 0.0 110.801 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -59.35 0.59 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.285 2.234 . . . . 0.0 114.06 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -117.18 -35.46 4.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.915 1.686 . . . . 0.0 112.561 169.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.61 -32.7 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.339 -0.85 . . . . 0.0 113.004 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -35.8 55.56 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -14.21 60.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.263 1.825 . . . . 0.0 113.062 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -86.6 -54.28 4.48 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.557 -0.714 . . . . 0.0 110.77 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.7 -42.49 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.37 0.668 . . . . 0.0 112.132 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 C-N-CA 124.252 0.929 . . . . 0.0 113.888 177.774 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.451 ' N ' HE22 ' A' ' 44' ' ' GLN . 88.5 t . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.46 -44.66 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 121.103 1.774 . . . . 0.0 115.127 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.18 -37.85 88.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.429 1.891 . . . . 0.0 111.166 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.29 -31.8 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 123.928 0.891 . . . . 0.0 111.508 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -64.68 -47.69 77.5 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.811 1.187 . . . . 0.0 112.483 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 p -70.3 -35.97 74.02 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -32.77 66.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.181 -0.914 . . . . 0.0 113.101 171.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.62 -53.96 47.74 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.506 1.048 . . . . 0.0 109.803 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -46.89 -27.08 1.13 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -61.51 -36.21 79.87 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 119.822 -1.799 . . . . 0.0 113.659 171.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -41.68 90.13 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.766 1.166 . . . . 0.0 110.018 173.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.2 1.0 . . . . 0.0 112.261 -177.379 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -66.92 -2.62 5.47 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.53 -17.86 13.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.03 1.732 . . . . 0.0 112.503 167.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.11 -30.6 39.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.568 1.147 . . . . 0.0 109.848 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -34.1 67.6 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.195 0.998 . . . . 0.0 112.086 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.48 -29.07 58.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.49 1.116 . . . . 0.0 112.406 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.32 -37.75 56.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.79 0.836 . . . . 0.0 112.446 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -39.41 77.51 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.801 -1.187 . . . . 0.0 111.005 172.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.26 -17.36 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.557 1.543 . . . . 0.0 112.232 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -81.0 -49.3 11.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 120.858 -1.151 . . . . 0.0 112.291 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.41 -21.46 34.1 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.148 0.88 . . . . 0.0 112.803 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.51 -34.03 76.07 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.802 0.801 . . . . 0.0 111.708 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.61 -5.45 55.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.629 1.971 . . . . 0.0 114.045 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -101.91 -54.76 2.65 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.356 1.062 . . . . 0.0 111.85 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -95.5 -22.88 17.37 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.596 1.558 . . . . 0.0 113.967 -171.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 m80 56.23 84.49 0.08 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.49 1.916 . . . . 0.0 114.533 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tptp 70.06 48.24 0.54 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.69 1.596 . . . . 0.0 113.441 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -152.97 90.18 1.43 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.972 1.709 . . . . 0.0 109.736 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.51 -22.34 65.45 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.657 -1.277 . . . . 0.0 112.247 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.45 -3.3 4.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.27 2.628 . . . . 0.0 113.612 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -116.58 -31.21 5.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.772 1.229 . . . . 0.0 112.336 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.4 mt -52.69 -38.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.072 0.949 . . . . 0.0 112.791 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -32.9 51.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.32 -22.66 54.69 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.601 1.16 . . . . 0.0 113.249 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -79.21 -49.84 11.9 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.403 -0.811 . . . . 0.0 109.917 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.88 -43.41 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.594 173.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.232 0 C-N-CA 125.402 1.477 . . . . 0.0 113.875 171.305 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.87 -52.14 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.424 1.09 . . . . 0.0 113.271 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -29.92 60.9 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.801 1.182 . . . . 0.0 112.261 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.73 -40.52 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.571 0.749 . . . . 0.0 110.679 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -59.1 -43.86 91.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.883 0.873 . . . . 0.0 112.198 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -57.56 -53.27 60.07 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.932 0.893 . . . . 0.0 111.432 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -38.46 84.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.628 0.771 . . . . 0.0 112.773 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.08 57.68 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -83.32 -28.57 28.96 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 119.702 -1.874 . . . . 0.0 111.422 165.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -74.51 -36.18 63.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -54.34 -36.07 63.41 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.256 0.934 . . . . 0.0 111.713 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 124.18 0.992 . . . . 0.0 112.07 -176.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.206 0.051 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -72.13 -1.51 15.16 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.12 13.89 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.116 1.366 . . . . 0.0 111.694 168.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -85.54 -27.98 25.21 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 120.658 -1.277 . . . . 0.0 111.363 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.08 51.68 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.579 -0.701 . . . . 0.0 110.802 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.88 -26.89 62.72 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.564 1.546 . . . . 0.0 113.607 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -76.05 -45.34 34.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 127.558 2.343 . . . . 0.0 111.987 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.73 -39.07 76.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.324 0.65 . . . . 0.0 110.249 177.739 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.73 -21.38 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.221 1.008 . . . . 0.0 112.313 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.47 -47.74 25.81 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.615 -1.303 . . . . 0.0 111.276 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.49 -22.13 30.27 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-O 119.623 -0.543 . . . . 0.0 113.396 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.33 -27.9 66.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.81 1.305 . . . . 0.0 112.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.02 24.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.783 1.633 . . . . 0.0 113.638 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -87.2 -56.36 3.41 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.143 0.883 . . . . 0.0 111.953 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -94.82 -30.24 14.32 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.613 1.565 . . . . 0.0 113.881 -173.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 t60 50.87 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.155 2.182 . . . . 0.0 115.379 -169.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.0 56.88 6.52 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.162 2.185 . . . . 0.0 112.295 170.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -153.83 80.23 1.15 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.77 1.271 . . . . 0.0 109.628 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -65.35 -27.73 68.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.596 -1.315 . . . . 0.0 111.482 -169.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -56.88 -5.47 0.24 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.074 2.149 . . . . 0.0 114.426 171.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -115.69 -29.74 6.35 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.293 1.406 . . . . 0.0 112.575 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.44 -35.77 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.663 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -25.15 64.49 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.66 -39.12 64.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.382 0.673 . . . . 0.0 112.494 171.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -68.84 -41.05 79.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.246 1.022 . . . . 0.0 113.177 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.12 -19.49 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 126.151 1.78 . . . . 0.0 113.794 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 N-CA-C 116.509 1.363 . . . . 0.0 116.509 170.278 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.26 -41.57 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -168.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.559 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -86.45 -29.98 22.4 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.043 1.737 . . . . 0.0 111.879 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -64.25 -31.92 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.816 0.846 . . . . 0.0 111.106 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -56.78 -49.13 76.24 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.156 1.382 . . . . 0.0 113.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 p -78.12 -35.83 48.62 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -38.74 91.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.46 0.704 . . . . 0.0 111.697 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.77 -59.86 3.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.262 0.625 . . . . 0.0 111.365 173.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -50.67 -16.73 0.42 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -66.1 -36.39 83.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 120.216 1.371 . . . . 0.0 112.58 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -43.42 77.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.652 1.115 . . . . 0.0 109.706 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 t80 . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 125.314 1.446 . . . . 0.0 113.206 -174.818 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 119.719 -0.182 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.58 -45.58 82.7 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.785 -1.197 . . . . 0.0 112.555 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -18.53 64.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -84.22 -39.15 19.66 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.702 -1.249 . . . . 0.0 110.795 171.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -42.18 79.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.116 -0.99 . . . . 0.0 111.417 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -9.87 1.57 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.774 1.63 . . . . 0.0 115.093 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -100.38 -34.99 9.74 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.965 1.306 . . . . 0.0 112.284 169.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -60.33 -39.92 88.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.387 -1.445 . . . . 0.0 110.494 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.5 -13.81 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.745 1.218 . . . . 0.0 113.509 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.9 -47.9 9.23 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.445 1.498 . . . . 0.0 111.413 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.12 -19.99 18.61 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.605 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.39 -40.64 95.1 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.902 1.351 . . . . 0.0 111.072 172.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.78 58.94 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.529 1.532 . . . . 0.0 113.894 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.7 mt -86.71 -55.21 3.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.996 1.318 . . . . 0.0 111.762 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -96.47 -24.73 15.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.413 1.485 . . . . 0.0 113.825 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 59.74 85.56 0.1 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.194 1.398 . . . . 0.0 113.697 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? 57.39 58.4 3.86 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.634 1.574 . . . . 0.0 111.828 173.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -155.72 85.28 1.04 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 123.609 1.671 . . . . 0.0 109.546 -169.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -67.14 -26.37 66.63 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.462 -1.399 . . . . 0.0 111.401 -171.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 34.3 mmtt -57.24 -2.85 0.12 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.929 2.092 . . . . 0.0 114.736 169.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -121.27 -30.57 4.27 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.621 1.1 . . . . 0.0 112.491 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.5 mt -54.24 -36.84 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -59.09 -27.33 65.46 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.51 -49.06 72.81 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.338 1.055 . . . . 0.0 110.972 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -72.18 -40.62 67.8 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.896 1.278 . . . . 0.0 111.636 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mm -65.83 -15.25 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.411 1.884 . . . . 0.0 113.698 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.415 0 C-N-CA 125.249 1.404 . . . . 0.0 115.999 168.832 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.5 t -50.42 -53.91 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 120.082 1.31 . . . . 0.0 113.515 -171.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.602 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.03 -34.44 78.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.502 1.921 . . . . 0.0 112.517 175.4 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.56 -35.45 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.223 -0.923 . . . . 0.0 111.206 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.76 -51.68 68.57 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.277 0.631 . . . . 0.0 112.318 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -71.81 -30.49 65.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.71 0.804 . . . . 0.0 113.073 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -37.84 43.96 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.1 -56.21 15.9 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 124.198 0.999 . . . . 0.0 110.292 174.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -45.69 -23.06 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -68.63 -34.76 76.29 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.0 1.273 . . . . 0.0 113.762 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.98 -42.46 85.14 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.451 1.478 . . . . 0.0 109.915 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.0 t80 . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 124.131 0.973 . . . . 0.0 112.935 -172.662 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.05 -5.16 16.11 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.29 -21.75 13.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 0.0 112.455 168.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.31 -31.7 26.72 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.196 -0.94 . . . . 0.0 110.808 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -36.82 64.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 111.018 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.48 45.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.997 1.319 . . . . 0.0 113.058 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.03 -36.16 61.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.54 1.136 . . . . 0.0 113.465 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.14 79.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.407 0.683 . . . . 0.0 110.306 172.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.4 t -67.52 -13.76 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.391 1.476 . . . . 0.0 112.495 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.81 -47.83 9.35 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.332 -1.48 . . . . 0.0 112.022 173.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -22.4 21.58 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-N 118.429 0.559 . . . . 0.0 113.531 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.82 -30.41 71.51 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.319 1.06 . . . . 0.0 112.335 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 -14.26 30.58 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.485 1.914 . . . . 0.0 114.153 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.0 mt -94.5 -51.73 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.343 1.057 . . . . 0.0 111.587 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.03 -29.12 14.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.238 1.415 . . . . 0.0 113.385 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 55.3 86.48 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.987 1.315 . . . . 0.0 113.354 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm 60.1 70.98 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.143 1.777 . . . . 0.0 111.02 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -161.47 80.76 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.576 1.55 . . . . 0.0 110.688 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.444 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.2 m95 -65.97 -31.5 72.45 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 120.125 -1.609 . . . . 0.0 111.331 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -1.93 0.19 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.518 2.727 . . . . 0.0 114.371 170.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -111.25 -34.9 6.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.025 1.33 . . . . 0.0 111.536 166.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.83 -33.8 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.504 1.122 . . . . 0.0 113.257 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -27.09 62.2 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.27 -22.47 44.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.474 1.109 . . . . 0.0 113.921 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -81.52 -48.33 11.96 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.384 0.612 . . . . 0.0 109.872 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.82 -38.1 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.516 0.726 . . . . 0.0 111.632 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.569 0 C-N-CA 124.84 1.209 . . . . 0.0 115.674 -179.086 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.12 -50.17 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.436 1.471 . . . . 0.0 113.392 -170.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.612 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.51 -34.27 69.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.283 1.433 . . . . 0.0 112.321 174.32 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.16 -39.46 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.079 0.952 . . . . 0.0 110.805 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.8 -49.62 72.7 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.136 1.374 . . . . 0.0 111.317 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -67.1 -40.75 86.97 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.384 1.074 . . . . 0.0 112.411 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -36.18 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 172.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -70.88 -3.83 21.17 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.46 -1.4 . . . . 0.0 114.439 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -88.98 -27.85 20.62 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 126.44 1.896 . . . . 0.0 111.928 165.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -68.27 -43.69 77.2 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.767 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -54.09 -37.86 64.7 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.948 0.795 . . . . 0.0 111.227 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 125.38 1.472 . . . . 0.0 111.979 -177.185 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -72.46 23.2 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.762 1.625 . . . . 0.0 114.38 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.26 -17.27 0.92 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.666 1.987 . . . . 0.0 112.852 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.95 -39.94 14.32 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.033 0.933 . . . . 0.0 109.553 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.12 78.89 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.616 -0.677 . . . . 0.0 111.748 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -11.4 1.84 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.252 1.821 . . . . 0.0 114.878 173.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -90.07 -41.64 11.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.14 1.776 . . . . 0.0 111.448 171.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -39.48 75.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.004 -1.06 . . . . 0.0 110.742 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.63 -12.87 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.09 2.156 . . . . 0.0 113.351 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.98 -48.5 6.95 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.035 1.334 . . . . 0.0 112.116 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.84 -20.79 27.42 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.427 0.558 . . . . 0.0 113.581 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -61.98 -33.04 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.323 1.061 . . . . 0.0 112.004 172.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.98 -6.52 55.56 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.423 1.889 . . . . 0.0 114.524 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -105.26 -53.43 2.66 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.119 1.368 . . . . 0.0 112.224 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -95.96 -22.46 17.39 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.638 1.175 . . . . 0.0 113.598 -174.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 56.89 82.5 0.12 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.695 1.998 . . . . 0.0 113.768 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 57.45 66.33 1.17 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.5 2.32 . . . . 0.0 111.978 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -155.37 79.47 1.03 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.282 1.433 . . . . 0.0 108.075 -170.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.436 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.5 m95 -65.57 -29.68 70.33 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.648 -1.283 . . . . 0.0 110.222 -171.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -58.36 5.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 129.361 3.065 . . . . 0.0 114.954 170.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -124.69 -34.59 2.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.952 1.701 . . . . 0.0 112.595 168.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.3 mt -54.74 -38.28 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.409 1.004 . . . . 0.0 112.969 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -33.01 22.02 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -76.39 -24.09 54.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.788 1.235 . . . . 0.0 113.501 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -81.28 -43.42 19.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.997 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.36 -39.71 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.529 1.132 . . . . 0.0 110.23 170.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 C-N-CA 124.089 0.852 . . . . 0.0 113.984 169.451 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.48 -48.95 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.946 -1.096 . . . . 0.0 113.562 -169.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -35.91 81.02 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 111.801 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.1 -33.44 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -58.15 -37.15 74.1 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.987 1.267 . . . . 0.0 112.187 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -68.97 -51.43 39.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.686 1.995 . . . . 0.0 111.986 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -31.12 34.76 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.741 -0.6 . . . . 0.0 112.506 -177.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -70.51 -6.12 33.88 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -87.3 -32.65 19.56 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.482 -1.386 . . . . 0.0 110.682 164.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -67.84 -34.7 77.22 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 117.378 -1.296 . . . . 0.0 114.385 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.43 -41.5 72.87 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.108 1.322 . . . . 0.0 110.935 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 124.307 1.043 . . . . 0.0 112.617 -173.901 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -73.65 -27.08 61.07 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.097 -1.002 . . . . 0.0 112.936 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.98 -23.71 52.3 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.206 1.003 . . . . 0.0 113.118 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.21 -39.82 16.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.193 0.906 . . . . 0.0 110.106 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.66 76.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.259 -0.901 . . . . 0.0 112.031 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.46 -16.02 8.42 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.1 -45.53 13.87 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.361 1.437 . . . . 0.0 112.09 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.13 -38.15 73.05 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.234 -0.916 . . . . 0.0 111.678 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.5 -19.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.496 1.119 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -81.23 -43.18 19.62 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.943 -1.098 . . . . 0.0 112.049 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.35 -20.51 29.84 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.177 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.78 -17.64 62.78 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.898 1.349 . . . . 0.0 113.313 173.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.11 -23.47 17.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 113.214 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.93 -57.27 3.1 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.342 1.057 . . . . 0.0 111.952 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -98.7 -8.93 25.33 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.601 1.56 . . . . 0.0 113.35 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m80 67.69 -56.62 0.47 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.437 2.695 . . . . 0.0 116.232 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -163.83 64.61 0.16 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.185 1.394 . . . . 0.0 111.55 -173.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -155.98 95.06 1.59 Allowed 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.843 1.257 . . . . 0.0 109.901 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -65.81 -25.17 67.11 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 120.805 -1.184 . . . . 0.0 110.455 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -59.16 -5.3 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.738 1.615 . . . . 0.0 113.783 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -116.6 -30.61 5.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.906 1.683 . . . . 0.0 112.185 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.3 mt -57.74 -29.67 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.679 -1.263 . . . . 0.0 113.025 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -28.71 62.35 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.54 -34.19 69.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.781 1.633 . . . . 0.0 112.642 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -76.57 -44.93 32.62 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.64 -0.663 . . . . 0.0 110.621 -171.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.5 -23.71 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 124.185 0.994 . . . . 0.0 111.606 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.51 0 O-C-N 120.614 -1.303 . . . . 0.0 114.518 -178.84 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.2 -43.9 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -170.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.573 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -70.52 -41.13 72.99 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.361 1.864 . . . . 0.0 112.728 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.38 -31.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.685 0.794 . . . . 0.0 111.982 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -62.47 -45.28 93.76 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.856 0.753 . . . . 0.0 112.983 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 m -77.97 -37.25 47.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.467 1.107 . . . . 0.0 112.989 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -29.92 62.69 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -54.44 -56.84 14.61 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 119.417 1.008 . . . . 0.0 109.805 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -48.04 -28.16 2.67 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -61.17 -36.66 80.43 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 117.452 -1.261 . . . . 0.0 112.866 171.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -39.44 70.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.56 1.527 . . . . 0.0 111.227 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 124.364 1.066 . . . . 0.0 112.231 -178.526 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.12 -37.17 71.59 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 120.518 1.508 . . . . 0.0 114.257 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.23 66.2 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.593 -0.692 . . . . 0.0 112.595 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.91 -41.55 13.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.413 1.085 . . . . 0.0 111.168 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -37.36 72.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.17 -27.22 13.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.877 1.271 . . . . 0.0 113.917 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -89.98 -32.33 16.84 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.276 1.43 . . . . 0.0 113.244 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.53 -39.96 81.62 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.338 -0.851 . . . . 0.0 111.176 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -62.82 -19.66 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -85.78 -44.09 12.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.131 -0.981 . . . . 0.0 113.247 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.95 -18.74 34.47 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 118.983 0.81 . . . . 0.0 113.438 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.41 -37.08 84.43 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.959 0.879 . . . . 0.0 111.33 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.53 60.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.901 1.28 . . . . 0.0 113.391 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -83.89 -54.86 4.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 111.822 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.53 -26.86 19.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.393 1.477 . . . . 0.0 113.232 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 t60 51.11 98.71 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.006 2.123 . . . . 0.0 114.686 -170.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? 57.35 56.53 5.03 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.79 1.636 . . . . 0.0 112.182 168.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.89 81.72 1.21 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.347 1.059 . . . . 0.0 110.562 -172.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -62.37 -26.48 68.48 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.951 -1.093 . . . . 0.0 112.284 -170.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.16 3.3 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 128.841 2.856 . . . . 0.0 115.076 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -120.6 -33.05 3.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.98 1.312 . . . . 0.0 111.548 169.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -56.09 -36.71 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.837 0.855 . . . . 0.0 112.767 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -35.35 16.81 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.74 -21.52 37.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -80.48 -38.94 28.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.125 0.964 . . . . 0.0 112.008 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.67 -34.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.066 1.346 . . . . 0.0 113.544 170.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 CA-C-N 119.192 0.906 . . . . 0.0 114.033 -179.738 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -52.59 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 124.894 1.278 . . . . 0.0 114.362 -172.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.578 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.48 -34.04 69.83 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.768 1.227 . . . . 0.0 110.661 175.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.15 -40.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.072 0.949 . . . . 0.0 110.687 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -63.24 -38.31 90.66 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.345 1.458 . . . . 0.0 112.876 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -75.03 -47.62 28.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.872 2.469 . . . . 0.0 112.845 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -33.77 74.55 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.758 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.14 -58.27 6.55 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 123.718 0.807 . . . . 0.0 110.32 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -48.1 -24.82 1.22 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.97 -29.31 69.69 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.941 1.246 . . . . 0.0 114.278 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.86 72.27 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.449 1.477 . . . . 0.0 112.207 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.361 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -69.79 -5.56 26.29 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.85 -22.67 17.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.062 -1.024 . . . . 0.0 111.846 167.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.88 -36.02 14.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.697 1.599 . . . . 0.0 111.126 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -33.05 65.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.518 1.527 . . . . 0.0 111.286 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.87 -27.62 44.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.754 1.222 . . . . 0.0 113.034 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.91 -36.16 49.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.249 0.62 . . . . 0.0 110.831 170.4 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.45 -19.58 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.976 0.911 . . . . 0.0 112.581 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -82.35 -42.12 19.12 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.232 -0.918 . . . . 0.0 112.731 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.88 -19.25 49.56 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-O 119.435 -0.647 . . . . 0.0 112.6 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.25 -13.0 61.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.192 1.496 . . . . 0.0 112.986 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.16 -4.86 25.16 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.483 1.913 . . . . 0.0 114.042 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -107.66 -55.42 2.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.975 1.31 . . . . 0.0 111.775 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -102.23 -10.7 19.33 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.317 2.247 . . . . 0.0 113.192 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 m80 68.32 -61.52 0.39 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.83 2.452 . . . . 0.0 115.994 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.76 58.43 0.43 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.943 1.297 . . . . 0.0 111.312 -169.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -156.19 89.77 1.16 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 123.073 1.416 . . . . 0.0 110.192 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -65.72 -25.62 67.38 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.105 -0.997 . . . . 0.0 111.266 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -4.5 2.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.495 1.918 . . . . 0.0 113.601 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -114.54 -32.4 5.9 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.673 1.124 . . . . 0.0 112.064 171.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.03 -30.75 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.906 1.282 . . . . 0.0 112.412 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -31.91 28.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 169.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.02 -16.03 51.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.136 0.974 . . . . 0.0 113.55 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -82.44 -47.99 11.6 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.55 -0.719 . . . . 0.0 111.017 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.53 -32.45 36.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.313 1.045 . . . . 0.0 112.152 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.216 0 C-N-CA 124.648 1.118 . . . . 0.0 114.677 -175.598 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.66 -38.48 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -171.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.41 -31.37 69.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.176 1.791 . . . . 0.0 113.137 171.793 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -69.03 -39.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.792 -1.192 . . . . 0.0 110.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -54.23 -49.91 68.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.57 1.548 . . . . 0.0 112.464 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.4 p -75.97 -36.13 59.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.9 1.28 . . . . 0.0 113.333 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -32.32 70.35 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 172.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -56.45 -55.4 34.07 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.103 0.865 . . . . 0.0 110.655 -177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -44.09 -29.22 0.58 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -63.56 -32.43 73.89 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.727 -1.233 . . . . 0.0 113.879 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -41.63 89.14 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.146 1.339 . . . . 0.0 110.748 171.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 CA--C 1.539 0.549 0 C-N-CA 125.05 1.34 . . . . 0.0 112.044 -175.502 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -59.09 -12.54 5.05 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.84 5.33 3.63 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.305 1.842 . . . . 0.0 113.523 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.08 -29.91 28.41 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.837 -1.165 . . . . 0.0 110.011 169.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -55.03 -34.22 63.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.66 -0.65 . . . . 0.0 111.135 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -11.62 10.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.054 1.342 . . . . 0.0 114.241 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -82.92 -43.02 16.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.311 1.445 . . . . 0.0 110.826 168.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.98 -36.74 68.2 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.183 -0.948 . . . . 0.0 111.087 173.291 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -66.42 -12.7 15.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.726 1.611 . . . . 0.0 112.699 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.94 -47.96 8.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.621 -1.299 . . . . 0.0 112.035 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.68 -18.1 15.9 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.806 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.76 -39.29 93.37 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.976 1.388 . . . . 0.0 111.227 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.09 60.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.215 1.406 . . . . 0.0 113.246 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.52 -62.65 1.5 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.547 1.139 . . . . 0.0 111.086 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -87.83 -25.12 23.48 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.119 0.968 . . . . 0.0 113.609 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t60 57.17 88.51 0.05 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.772 2.029 . . . . 0.0 114.195 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? 58.78 61.74 2.1 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.928 2.091 . . . . 0.0 111.847 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -152.38 86.84 1.29 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 123.06 1.409 . . . . 0.0 109.977 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -64.69 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.723 1.209 . . . . 0.0 110.802 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -57.66 -5.31 0.36 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.684 1.993 . . . . 0.0 114.055 168.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.66 -33.33 5.55 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.837 1.198 . . . . 0.0 112.357 169.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.27 -34.23 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.671 0.789 . . . . 0.0 112.79 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -27.3 65.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -70.77 -33.39 70.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.052 0.941 . . . . 0.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -77.27 -41.91 39.08 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 111.147 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.2 -31.46 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.063 169.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.146 0 C-N-CA 127.129 2.299 . . . . 0.0 114.857 169.694 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.05 -47.89 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.457 -1.402 . . . . 0.0 113.518 -170.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.5 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.98 -34.66 78.24 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.354 -0.841 . . . . 0.0 111.908 175.309 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.7 -37.95 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.778 0.831 . . . . 0.0 110.736 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 tpt85 -60.61 -44.57 96.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -174.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -66.91 -48.63 68.11 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.177 0.923 . . . . 0.0 111.263 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.37 -34.32 74.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -55.53 -57.25 12.69 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.138 0.881 . . . . 0.0 110.558 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -53.16 -20.12 3.59 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 119.909 -1.744 . . . . 0.0 115.122 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -69.41 -33.92 73.72 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.331 -1.319 . . . . 0.0 112.929 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -44.59 94.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.933 1.697 . . . . 0.0 109.863 169.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.9 t80 . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 124.682 1.193 . . . . 0.0 112.176 -175.019 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.676 0.275 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -63.21 -26.17 68.67 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.23 -29.21 48.09 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.549 -0.719 . . . . 0.0 112.264 169.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -36.55 28.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.9 0.88 . . . . 0.0 110.848 -177.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -39.35 69.92 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.762 0.825 . . . . 0.0 111.239 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -14.87 9.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.405 1.482 . . . . 0.0 114.327 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -92.19 -41.93 10.17 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 125.814 1.646 . . . . 0.0 113.366 172.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.41 -40.53 82.7 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.959 -1.088 . . . . 0.0 111.649 178.539 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.89 -14.91 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.01 -44.23 16.93 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.96 -19.5 22.72 Favored Glycine 0 CA--C 1.543 1.816 0 O-C-N 121.832 -0.543 . . . . 0.0 113.35 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.76 -23.73 64.35 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.297 -1.12 . . . . 0.0 113.103 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.12 -34.69 13.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.065 1.746 . . . . 0.0 113.439 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.83 -59.72 2.76 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.944 -1.097 . . . . 0.0 110.063 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.08 -40.98 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.566 1.546 . . . . 0.0 111.795 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.5 t60 64.07 95.69 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.336 1.854 . . . . 0.0 114.592 -171.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.01 64.13 1.47 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.798 2.439 . . . . 0.0 112.354 173.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -159.81 86.54 0.78 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.586 1.184 . . . . 0.0 110.484 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.47 -24.67 63.82 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.706 -1.246 . . . . 0.0 111.284 -171.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -61.35 0.55 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.529 2.332 . . . . 0.0 114.504 171.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -120.83 -35.99 3.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 111.893 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.51 -36.86 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.934 0.894 . . . . 0.0 113.298 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -25.56 65.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -77.41 -28.89 52.8 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -74.61 -43.0 57.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.514 0.673 . . . . 0.0 111.353 -174.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.58 -45.5 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.302 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.236 0 CA-C-N 118.839 0.745 . . . . 0.0 114.497 170.196 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.7 t . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.7 t -52.87 -55.07 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.568 1.147 . . . . 0.0 114.032 -171.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.609 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.94 -35.21 80.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.782 2.033 . . . . 0.0 112.388 176.435 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mt -70.49 -35.41 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.442 -0.786 . . . . 0.0 111.013 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -65.31 -43.44 91.03 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.515 0.726 . . . . 0.0 112.501 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.5 p -70.09 -38.56 75.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.691 0.796 . . . . 0.0 112.479 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -33.29 64.12 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.94 -53.07 57.82 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 119.288 0.949 . . . . 0.0 111.086 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -45.76 -27.91 0.93 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.64 -36.81 84.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.688 1.131 . . . . 0.0 113.002 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -46.13 83.07 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.268 1.395 . . . . 0.0 109.485 171.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 CA--C 1.532 0.288 0 C-N-CA 125.6 1.56 . . . . 0.0 112.158 -173.069 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.36 -37.6 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.335 1.88 . . . . 0.0 114.759 -169.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -18.29 64.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.606 -1.308 . . . . 0.0 113.303 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -89.28 -47.0 8.35 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.216 -0.927 . . . . 0.0 110.633 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -35.27 72.82 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.95 1.3 . . . . 0.0 111.362 -176.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.03 34.02 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 117.88 -1.057 . . . . 0.0 113.8 175.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.13 -32.98 29.87 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.358 1.436 . . . . 0.0 113.509 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.51 -39.73 77.17 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.562 -0.711 . . . . 0.0 110.235 169.24 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.22 -17.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.778 1.231 . . . . 0.0 112.668 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -84.64 -45.65 12.28 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.287 1.035 . . . . 0.0 112.327 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 -16.85 29.66 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 113.608 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.99 -41.53 96.67 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.495 1.147 . . . . 0.0 111.324 170.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.0 61.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.327 1.451 . . . . 0.0 113.032 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.52 -66.11 0.91 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.072 0.851 . . . . 0.0 110.708 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.24 -19.39 36.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.88 -170.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 t60 59.54 80.31 0.2 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.295 1.438 . . . . 0.0 113.782 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? 61.38 60.42 1.71 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.013 2.125 . . . . 0.0 111.761 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -151.86 92.2 1.71 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.226 1.41 . . . . 0.0 110.077 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -68.39 -28.13 66.83 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.049 -1.032 . . . . 0.0 111.146 -170.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -62.26 4.06 0.15 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.716 2.406 . . . . 0.0 114.586 171.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -123.03 -34.34 3.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.767 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mt -52.54 -35.7 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.31 -0.869 . . . . 0.0 112.988 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -30.15 36.2 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -88.47 -14.61 37.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.913 1.285 . . . . 0.0 113.678 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -79.56 -46.09 17.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.757 0.823 . . . . 0.0 111.218 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.27 -44.85 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 124.262 1.025 . . . . 0.0 110.711 170.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.188 0 C-N-CA 125.034 1.302 . . . . 0.0 115.433 169.316 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.5 t . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.81 -57.54 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 124.781 1.232 . . . . 0.0 113.513 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.592 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.44 -33.6 74.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.078 1.751 . . . . 0.0 112.286 175.623 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.42 -41.23 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 119.2 0.909 . . . . 0.0 111.236 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -63.59 -44.69 93.26 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.663 1.185 . . . . 0.0 110.391 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.5 m -67.11 -37.82 84.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.863 -1.517 . . . . 0.0 112.491 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.98 -31.58 50.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 171.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -56.42 -54.47 45.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.519 1.054 . . . . 0.0 109.989 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.93 -11.2 0.59 Allowed 'General case' 0 CA--C 1.559 1.307 0 O-C-N 119.53 -1.981 . . . . 0.0 116.02 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -80.27 -30.64 38.4 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.124 1.369 . . . . 0.0 113.429 168.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -39.69 80.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.759 1.618 . . . . 0.0 109.942 169.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 t80 . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 123.918 0.887 . . . . 0.0 112.845 -172.782 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.98 -31.35 72.21 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.111 1.323 . . . . 0.0 113.325 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.58 -18.6 61.05 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.996 -1.065 . . . . 0.0 113.349 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.24 -38.61 13.31 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -36.52 80.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.967 -1.083 . . . . 0.0 111.706 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.3 -9.4 2.23 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -95.19 -44.95 7.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.664 1.585 . . . . 0.0 112.251 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.52 -40.06 71.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.546 0.738 . . . . 0.0 111.927 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.53 -18.54 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.304 1.441 . . . . 0.0 112.557 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.24 -46.71 10.78 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.576 1.151 . . . . 0.0 111.67 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.54 -20.17 37.22 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.897 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -36.71 79.88 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.183 0.991 . . . . 0.0 111.804 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.54 44.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.761 1.224 . . . . 0.0 113.254 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.52 -57.27 3.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.933 1.293 . . . . 0.0 111.677 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.41 -22.99 21.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 52.64 89.0 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.659 1.984 . . . . 0.0 113.301 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.0 tptp 56.66 66.32 1.21 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.43 1.892 . . . . 0.0 110.524 171.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -161.33 83.98 0.64 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.055 1.742 . . . . 0.0 110.075 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -64.62 -26.68 68.5 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.167 -1.583 . . . . 0.0 112.304 -172.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 14.1 mmmm -59.48 -2.26 0.31 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 128.761 2.824 . . . . 0.0 114.263 173.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -118.61 -28.48 5.65 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.272 1.029 . . . . 0.0 112.654 170.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.16 -34.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.264 -0.898 . . . . 0.0 112.217 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.31 -23.08 46.33 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 175.548 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.71 -29.91 51.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.635 1.174 . . . . 0.0 113.681 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -82.4 -40.05 21.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.032 0.92 . . . . 0.0 112.117 -169.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.66 -34.41 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.634 169.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.646 0 C-N-CA 124.18 0.895 . . . . 0.0 114.816 -172.617 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.37 -46.63 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-N 119.813 1.188 . . . . 0.0 113.293 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.99 -35.27 69.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.614 1.966 . . . . 0.0 114.096 175.661 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.93 -37.27 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 120.873 -1.142 . . . . 0.0 111.688 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -56.95 -47.7 80.06 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.348 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 p -74.78 -36.3 62.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.485 1.514 . . . . 0.0 113.5 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -32.24 61.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.808 0.731 . . . . 0.0 112.748 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.36 -52.19 60.03 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.64 0.776 . . . . 0.0 110.577 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -44.38 -30.57 0.86 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -65.81 -30.06 70.63 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.462 -1.399 . . . . 0.0 114.55 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -43.2 94.4 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 121.205 1.821 . . . . 0.0 110.44 169.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 126.794 2.038 . . . . 0.0 112.949 -171.563 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.21 -37.39 87.05 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.671 -1.268 . . . . 0.0 110.639 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -29.45 68.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.679 1.191 . . . . 0.0 113.587 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.71 -28.0 30.82 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.998 -1.064 . . . . 0.0 111.124 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -40.61 71.04 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.389 -0.82 . . . . 0.0 111.483 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -9.01 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.435 1.894 . . . . 0.0 115.049 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -95.18 -44.43 7.63 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.988 1.315 . . . . 0.0 112.138 171.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.94 -40.23 79.99 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.132 -0.98 . . . . 0.0 111.203 -179.279 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.23 -16.34 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.499 1.119 . . . . 0.0 113.608 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.77 -46.71 12.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.706 1.203 . . . . 0.0 111.784 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -19.71 30.28 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.096 -0.835 . . . . 0.0 113.333 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.49 -35.58 79.79 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.912 1.356 . . . . 0.0 111.804 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.34 -28.41 47.24 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.36 1.464 . . . . 0.0 113.493 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.39 -51.29 6.02 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.159 1.384 . . . . 0.0 112.326 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -99.41 -16.17 18.49 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.5 t60 53.9 79.0 0.14 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.629 1.572 . . . . 0.0 113.764 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? 58.2 73.16 0.48 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.981 2.112 . . . . 0.0 110.714 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -160.09 83.81 0.72 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 123.071 1.415 . . . . 0.0 110.154 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -66.7 -29.93 70.04 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.347 -1.471 . . . . 0.0 111.164 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.2 6.37 0.42 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.66 1.984 . . . . 0.0 113.768 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -118.35 -38.57 3.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.547 1.539 . . . . 0.0 111.173 166.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.74 -36.14 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.228 0.922 . . . . 0.0 112.684 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -33.54 47.4 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.83 -27.69 57.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.848 1.259 . . . . 0.0 111.815 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.87 -46.83 28.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.829 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.45 -51.54 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 117.38 -1.295 . . . . 0.0 112.884 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 120.369 2.907 . . . . 0.0 120.369 -168.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -50.15 -46.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.62 1.168 . . . . 0.0 113.525 -172.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.537 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -63.33 -35.86 81.79 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.93 1.292 . . . . 0.0 113.233 175.217 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mt -71.2 -34.4 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.273 -0.892 . . . . 0.0 110.52 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -61.86 -43.81 98.1 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.077 0.853 . . . . 0.0 113.13 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -77.61 -34.53 53.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.589 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -72.62 -32.27 65.79 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.892 1.223 . . . . 0.0 113.511 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -50.12 -51.51 42.59 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.811 0.844 . . . . 0.0 110.652 173.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 -26.99 1.73 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.78 -35.06 73.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.118 -1.614 . . . . 0.0 113.22 170.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -38.21 77.76 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.741 1.155 . . . . 0.0 110.515 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 124.678 1.191 . . . . 0.0 112.579 -177.223 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -69.78 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.933 -1.104 . . . . 0.0 113.211 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.51 -23.91 50.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.943 0.897 . . . . 0.0 113.092 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -87.37 -40.96 13.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.259 1.024 . . . . 0.0 110.262 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -36.73 74.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.299 -0.876 . . . . 0.0 111.994 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.43 -14.89 2.17 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.31 1.444 . . . . 0.0 114.33 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.68 -36.86 10.12 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.152 1.342 . . . . 0.0 113.082 172.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -39.14 74.45 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.55 -1.344 . . . . 0.0 112.164 174.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.45 -7.96 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.12 -49.26 7.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.876 1.271 . . . . 0.0 112.382 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.96 31.52 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-N 118.095 0.407 . . . . 0.0 113.32 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.13 -29.21 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.958 0.903 . . . . 0.0 112.744 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.84 -9.74 28.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.692 1.997 . . . . 0.0 113.942 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.95 -65.54 0.96 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -82.73 -26.37 32.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.641 1.176 . . . . 0.0 113.413 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 56.23 92.21 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.154 1.781 . . . . 0.0 113.794 -173.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? 57.82 62.7 2.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.705 2.002 . . . . 0.0 112.708 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -156.06 80.55 0.99 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.944 1.297 . . . . 0.0 109.708 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -64.29 -28.39 69.68 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.25 -1.531 . . . . 0.0 111.567 -171.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 30.1 mmmt -56.69 -5.32 0.21 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.325 2.65 . . . . 0.0 114.604 170.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -117.26 -28.25 6.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.752 1.221 . . . . 0.0 112.667 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mt -59.29 -31.96 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.164 0.986 . . . . 0.0 112.31 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.2 -29.78 47.32 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 172.261 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.77 -24.33 52.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -78.72 -47.29 17.17 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.088 -1.007 . . . . 0.0 110.776 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.97 -38.53 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 111.772 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 C-N-CA 124.72 1.152 . . . . 0.0 113.422 174.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -49.27 -53.06 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-N 120.798 1.636 . . . . 0.0 115.041 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.585 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.53 -34.45 77.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.804 1.241 . . . . 0.0 112.053 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.09 -40.32 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.377 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.6 ttp85 -66.97 -36.64 82.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.701 1.201 . . . . 0.0 112.248 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -47.29 73.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 113.103 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -25.49 39.12 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -176.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.43 31.2 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -50.86 -24.31 3.46 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -66.26 -36.51 83.17 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.645 -1.284 . . . . 0.0 112.549 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -38.46 72.79 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.866 1.666 . . . . 0.0 112.048 172.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 125.567 1.547 . . . . 0.0 111.29 -176.849 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.46 -22.76 64.56 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.972 -1.08 . . . . 0.0 113.296 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.54 -18.58 40.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 169.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -41.51 11.31 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.07 0.948 . . . . 0.0 109.235 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.07 81.95 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.286 -0.884 . . . . 0.0 111.434 176.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.35 -8.89 1.92 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.776 1.631 . . . . 0.0 114.888 172.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -100.4 -36.65 9.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.9 1.68 . . . . 0.0 112.578 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -39.93 69.05 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.363 -0.836 . . . . 0.0 110.664 169.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.82 -16.28 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 126.391 1.876 . . . . 0.0 114.098 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.65 -51.39 6.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.954 1.302 . . . . 0.0 111.388 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.64 -15.13 32.0 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.135 -0.814 . . . . 0.0 113.356 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.42 -45.61 88.11 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.579 1.19 . . . . 0.0 110.703 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.73 63.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.01 1.724 . . . . 0.0 113.432 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -79.91 -58.68 3.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.912 0.885 . . . . 0.0 111.004 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -88.71 -14.19 37.86 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 t60 63.03 74.1 0.44 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.288 1.035 . . . . 0.0 111.906 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 52' ' ' TYR . 30.7 mmtp 55.11 63.51 2.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.474 2.31 . . . . 0.0 111.977 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -146.77 84.4 1.61 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.859 1.264 . . . . 0.0 108.328 -168.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -63.77 -32.69 74.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.129 1.372 . . . . 0.0 111.044 -169.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -58.24 -3.33 0.25 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.301 2.241 . . . . 0.0 113.807 170.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -116.75 -36.4 3.9 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.336 1.454 . . . . 0.0 112.116 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.2 mt -53.48 -38.19 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.973 0.909 . . . . 0.0 113.053 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.63 -32.72 52.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.88 -20.01 56.77 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.065 0.946 . . . . 0.0 113.265 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -78.63 -41.78 30.6 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.556 0.742 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.77 -40.76 61.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.719 0 N-CA-C 118.564 2.186 . . . . 0.0 118.564 -179.745 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -48.52 -47.13 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 125.613 1.565 . . . . 0.0 113.7 -174.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.623 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.5 -38.63 87.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.085 1.754 . . . . 0.0 112.667 176.28 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.3 mt -69.1 -34.64 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 121.44 -0.787 . . . . 0.0 110.728 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -59.95 -42.7 94.6 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 p -80.4 -43.84 20.36 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 113.217 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -28.58 65.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.405 1.457 . . . . 0.0 112.757 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.27 78.48 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.022 -1.049 . . . . 0.0 110.207 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.0 -20.0 3.1 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 119.998 -1.688 . . . . 0.0 114.9 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -73.68 -34.67 64.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.733 1.213 . . . . 0.0 113.752 169.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -54.39 -42.22 70.13 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.805 1.639 . . . . 0.0 110.521 171.57 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.0 t80 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.76 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.755 0.312 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -66.84 0.8 2.19 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.56 -16.25 5.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 113.229 169.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.76 -27.3 61.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.432 -1.418 . . . . 0.0 109.931 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -53.14 -33.22 51.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.324 1.049 . . . . 0.0 111.546 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -12.56 20.21 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 113.743 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -85.74 -39.15 17.49 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.956 1.702 . . . . 0.0 111.936 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.32 -40.0 70.64 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 121.083 -1.011 . . . . 0.0 110.677 169.634 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.45 -20.82 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.017 1.727 . . . . 0.0 112.751 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -82.97 -42.43 17.6 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.904 -1.122 . . . . 0.0 112.101 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.47 -20.78 52.55 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.024 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.16 -18.51 64.63 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.759 1.28 . . . . 0.0 112.689 173.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.9 -25.43 16.57 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.267 1.427 . . . . 0.0 113.571 170.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt -86.28 -51.05 6.5 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.992 1.317 . . . . 0.0 113.105 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -100.77 -4.83 27.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.647 1.579 . . . . 0.0 113.236 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.0 t60 68.92 -62.62 0.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.519 2.727 . . . . 0.0 115.221 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 70.81 0.3 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.562 1.545 . . . . 0.0 110.46 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -157.76 99.96 1.73 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.008 1.385 . . . . 0.0 110.537 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -64.37 -22.85 67.09 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.691 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -72.36 6.52 2.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.78 1.632 . . . . 0.0 113.288 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -124.45 -29.02 3.55 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.574 1.55 . . . . 0.0 112.318 170.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -56.12 -28.67 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.477 0.711 . . . . 0.0 112.61 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -34.56 60.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.27 -27.91 60.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.461 1.105 . . . . 0.0 113.717 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -78.56 -44.94 22.95 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.355 -0.84 . . . . 0.0 111.183 -170.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.92 -50.97 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.578 1.551 . . . . 0.0 110.361 169.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 C-N-CA 126.603 2.049 . . . . 0.0 114.299 176.26 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.353 0.8 OUTLIER . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.9 -40.0 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.927 1.694 . . . . 0.0 112.165 -175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.29 62.0 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.65 1.18 . . . . 0.0 112.473 174.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -64.55 -39.42 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.008 -1.057 . . . . 0.0 110.857 173.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -57.41 -46.63 83.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.432 1.093 . . . . 0.0 112.164 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.7 p -74.63 -40.71 61.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.643 1.177 . . . . 0.0 112.811 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.24 -35.48 79.65 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.967 173.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.32 -56.65 16.33 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.365 1.066 . . . . 0.0 110.813 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -43.74 -30.34 0.63 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.57 -37.12 86.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -43.85 78.87 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.365 1.439 . . . . 0.0 109.987 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 124.227 1.011 . . . . 0.0 113.08 -175.547 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -66.22 -24.32 66.58 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.88 64.73 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 112.238 169.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.92 -34.72 24.44 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.166 0.987 . . . . 0.0 110.902 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -36.11 68.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 111.652 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -16.95 3.62 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.451 1.5 . . . . 0.0 114.712 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -92.52 -39.46 11.36 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.796 1.18 . . . . 0.0 113.266 172.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -56.38 -39.99 73.86 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.256 -0.903 . . . . 0.0 111.843 176.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -65.52 -18.41 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -83.08 -43.7 15.99 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 123.898 0.879 . . . . 0.0 111.955 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.91 -23.28 14.86 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.69 -0.506 . . . . 0.0 113.238 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.78 -35.58 80.32 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.423 1.111 . . . . 0.0 111.665 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.61 -24.32 42.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.387 1.475 . . . . 0.0 114.506 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 mt -87.66 -42.61 12.54 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.461 1.104 . . . . 0.0 112.743 -176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.59 -16.03 12.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.814 1.245 . . . . 0.0 114.027 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 t60 56.15 67.4 1.01 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.863 1.265 . . . . 0.0 114.404 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.95 72.9 0.35 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.903 2.081 . . . . 0.0 112.235 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -159.6 86.27 0.79 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.671 1.588 . . . . 0.0 110.093 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -66.98 -27.38 67.39 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.028 -1.67 . . . . 0.0 111.498 -171.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 32.0 mmtp -60.16 3.42 0.07 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.531 2.332 . . . . 0.0 114.279 169.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -123.1 -28.8 3.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.477 1.511 . . . . 0.0 111.717 169.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.66 -34.84 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.175 -0.953 . . . . 0.0 112.786 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.57 -32.88 52.69 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 173.243 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.1 -32.9 72.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.841 0.857 . . . . 0.0 113.259 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -80.13 -42.64 23.12 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 122.507 1.146 . . . . 0.0 111.09 -170.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.24 -39.39 64.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.765 170.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 117.33 1.692 . . . . 0.0 117.33 168.5 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.17 -58.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 119.679 1.127 . . . . 0.0 113.877 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.613 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.26 -34.02 77.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.062 2.145 . . . . 0.0 112.624 175.388 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.33 -36.17 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.408 -0.807 . . . . 0.0 110.692 175.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -61.28 -46.37 90.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.182 0.901 . . . . 0.0 111.783 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.1 m -67.36 -32.56 73.57 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -39.84 41.43 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.843 0.747 . . . . 0.0 112.707 171.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.65 -57.59 8.74 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.099 0.96 . . . . 0.0 111.008 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -45.84 -23.85 0.32 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -69.19 -33.27 73.09 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.828 1.195 . . . . 0.0 113.716 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -37.92 68.42 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.226 1.375 . . . . 0.0 111.254 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 125.585 1.554 . . . . 0.0 112.341 -179.102 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.06 0.457 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -61.44 -13.25 18.93 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.2 -9.56 15.01 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.624 1.57 . . . . 0.0 113.431 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.79 -29.14 15.51 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.235 -0.916 . . . . 0.0 111.529 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -35.26 63.97 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.07 -1.019 . . . . 0.0 111.703 174.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.8 51.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.944 1.297 . . . . 0.0 113.472 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.32 -39.75 59.13 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.741 1.216 . . . . 0.0 112.664 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -59.67 -39.33 84.1 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.242 -0.912 . . . . 0.0 110.942 177.867 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.8 -20.91 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 125.188 1.395 . . . . 0.0 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.66 -44.49 18.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.915 -1.116 . . . . 0.0 112.35 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.54 -18.99 39.7 Favored Glycine 0 CA--C 1.539 1.549 0 O-C-N 121.817 -0.552 . . . . 0.0 112.724 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.42 -29.37 68.84 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 118.055 0.927 . . . . 0.0 111.998 172.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.03 -35.71 42.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 113.02 170.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.82 -58.44 3.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.833 0.853 . . . . 0.0 111.57 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.74 -35.39 14.92 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.593 1.557 . . . . 0.0 113.013 -174.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.2 t60 61.63 94.41 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.013 2.125 . . . . 0.0 114.914 -173.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.26 58.82 2.49 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.839 2.055 . . . . 0.0 112.876 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -154.93 84.86 1.09 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.287 1.435 . . . . 0.0 109.641 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.5 -26.73 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 120.48 -1.387 . . . . 0.0 111.177 -171.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -57.82 -4.23 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.731 2.813 . . . . 0.0 114.594 170.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -118.09 -33.45 4.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.209 1.404 . . . . 0.0 112.117 172.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.39 -32.19 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.858 0.863 . . . . 0.0 112.911 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -25.9 60.51 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -71.63 -40.23 69.89 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.858 0.863 . . . . 0.0 112.519 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.95 -41.65 61.7 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.36 0.664 . . . . 0.0 112.05 -167.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.79 -20.99 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 125.264 1.425 . . . . 0.0 113.49 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 CA-C-N 119.289 0.95 . . . . 0.0 115.201 169.199 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.96 -49.08 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 125.308 1.443 . . . . 0.0 114.804 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.73 -37.29 79.34 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.657 1.983 . . . . 0.0 112.488 177.151 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -65.06 -37.97 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.306 -0.871 . . . . 0.0 110.029 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -37.34 71.94 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.717 1.207 . . . . 0.0 112.563 -177.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -81.14 -45.85 15.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.166 1.386 . . . . 0.0 113.285 174.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -33.22 73.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.057 0.844 . . . . 0.0 113.209 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.56 -58.84 5.49 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 124.021 0.928 . . . . 0.0 110.473 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -44.59 -28.2 0.56 Allowed 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 175.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -65.35 -37.09 86.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 117.258 -1.353 . . . . 0.0 114.441 172.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -44.27 84.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.311 1.414 . . . . 0.0 109.554 172.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 124.652 1.181 . . . . 0.0 111.398 -174.213 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 CA-C-O 119.876 -0.402 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -66.84 -19.51 52.68 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.115 3.21 . . . . 0.0 115.982 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 tp 52.16 40.42 28.72 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.639 1.576 . . . . 0.0 112.823 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.07 1.94 28.89 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 116.735 1.454 . . . . 0.0 116.735 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -64.63 137.37 57.79 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.512 1.656 . . . . 0.0 110.273 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.49 128.03 34.1 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.645 -0.66 . . . . 0.0 110.36 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -111.89 146.03 38.46 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.04 1.336 . . . . 0.0 112.014 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.7 mmt-85 -78.06 139.83 39.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.605 0.762 . . . . 0.0 109.797 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -72.75 -38.17 67.44 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 122.067 -0.396 . . . . 0.0 110.837 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -61.81 136.64 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.357 1.863 . . . . 0.0 113.438 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -64.36 160.84 18.1 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.558 2.343 . . . . 0.0 115.543 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -130.33 160.24 34.54 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 126.121 1.768 . . . . 0.0 109.451 166.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -65.0 -31.05 72.1 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.753 -1.217 . . . . 0.0 113.621 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.97 -27.14 36.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.591 1.156 . . . . 0.0 113.079 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.08 -37.67 33.32 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.857 1.263 . . . . 0.0 110.335 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 35.2 t60 -48.08 -54.31 13.59 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 126.973 2.109 . . . . 0.0 110.513 175.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -73.56 4.25 5.16 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.91 -36.22 25.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.363 1.065 . . . . 0.0 108.982 162.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.87 -35.88 58.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.495 -1.378 . . . . 0.0 111.617 171.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.469 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -70.83 -12.13 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.101 1.361 . . . . 0.0 110.871 -168.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.91 -53.13 5.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 126.745 2.018 . . . . 0.0 110.635 172.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.8 -22.14 25.32 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.909 0.766 . . . . 0.0 114.403 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.82 -31.35 71.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.849 1.325 . . . . 0.0 111.669 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -44.19 12.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.793 1.637 . . . . 0.0 112.718 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 mt -69.52 -42.25 74.95 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 121.05 -1.032 . . . . 0.0 111.748 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -100.23 -19.87 16.19 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 t60 55.58 82.67 0.1 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.95 1.3 . . . . 0.0 112.887 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.24 61.7 2.45 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.361 1.465 . . . . 0.0 110.657 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -153.6 79.4 1.15 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 123.251 1.501 . . . . 0.0 109.796 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.596 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.7 m95 -64.4 -27.8 69.25 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.556 -1.34 . . . . 0.0 111.786 -169.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.54 5.47 0.19 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.992 2.517 . . . . 0.0 114.15 171.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -123.39 -29.43 3.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.906 1.283 . . . . 0.0 112.423 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.94 -43.52 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.535 1.134 . . . . 0.0 112.695 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -20.79 59.93 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -78.55 -30.8 47.08 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -75.28 -43.63 50.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 122.648 1.214 . . . . 0.0 111.491 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.45 -42.22 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.684 171.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.3 110.94 2.8 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 124.848 1.213 . . . . 0.0 111.846 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.287 1.4 t 60.45 16.91 6.76 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.914 2.086 . . . . 0.0 114.892 169.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -67.78 158.0 33.44 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.777 -1.202 . . . . 0.0 112.11 172.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -87.99 160.02 18.06 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 163.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.47 -15.13 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.018 -1.051 . . . . 0.0 112.829 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.97 -55.62 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 125.614 1.566 . . . . 0.0 114.874 -171.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.94 -27.85 62.09 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.332 1.053 . . . . 0.0 111.568 177.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mt -69.54 -40.91 80.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.514 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.479 176.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -66.02 -42.44 89.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.385 1.448 . . . . 0.0 111.863 -174.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.6 p -69.21 -32.89 72.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -80.76 -23.69 39.17 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.596 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -73.64 -5.03 37.91 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.415 1.578 . . . . 0.0 113.212 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.45 -37.17 13.34 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 127.584 2.353 . . . . 0.0 110.831 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -65.18 -38.63 91.12 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 117.312 -1.327 . . . . 0.0 113.16 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 2.0 p90 -56.6 -39.92 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.138 1.335 . . . . 0.0 111.21 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.25 -35.55 79.78 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 111.481 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.7 -34.28 75.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.985 0.914 . . . . 0.0 112.738 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -76.95 -24.54 52.34 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -52.0 133.66 32.63 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.324 1.05 . . . . 0.0 111.803 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -147.85 141.01 25.05 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.757 1.223 . . . . 0.0 112.778 -171.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -90.5 43.52 1.15 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.857 1.263 . . . . 0.0 113.332 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.4 p -142.12 45.53 1.66 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.573 1.549 . . . . 0.0 112.961 -175.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.385 0 CA-C-O 117.102 -1.427 . . . . 0.0 114.651 -178.723 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 CA-C-O 118.043 -1.421 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.73 156.44 48.78 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.975 3.117 . . . . 0.0 113.381 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.24 145.79 52.05 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.399 1.479 . . . . 0.0 111.706 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.86 24.86 40.06 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.463 1.03 . . . . 0.0 113.736 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -66.75 142.23 57.46 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.613 1.965 . . . . 0.0 112.645 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.63 120.27 23.07 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.751 1.621 . . . . 0.0 110.399 -176.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -68.58 150.96 47.39 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 114.184 -172.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -158.4 164.39 36.33 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 128.108 2.563 . . . . 0.0 110.883 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.11 -50.3 55.72 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.642 -0.662 . . . . 0.0 112.437 -178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -74.22 152.3 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.973 0.909 . . . . 0.0 113.439 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -63.06 150.03 43.6 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.915 0.886 . . . . 0.0 113.35 169.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 p -139.61 175.02 9.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.77 1.628 . . . . 0.0 111.027 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -71.46 -42.67 67.87 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.316 -0.865 . . . . 0.0 112.863 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.02 62.25 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.654 -0.654 . . . . 0.0 112.709 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.18 -38.38 24.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.704 0.802 . . . . 0.0 110.32 173.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.04 70.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.31 0.644 . . . . 0.0 111.441 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.71 -26.33 33.05 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.599 1.16 . . . . 0.0 113.645 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.29 -37.77 18.22 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.752 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.61 -39.1 79.5 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.404 -0.81 . . . . 0.0 110.617 173.515 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.78 -24.79 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.829 1.252 . . . . 0.0 112.491 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.57 -46.27 17.63 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 123.762 0.825 . . . . 0.0 111.432 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.64 -22.0 23.7 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 123.477 0.56 . . . . 0.0 113.55 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.96 -29.13 69.47 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.451 1.126 . . . . 0.0 112.559 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.41 -30.09 19.74 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.138 1.775 . . . . 0.0 113.118 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.27 -58.47 3.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.035 -1.04 . . . . 0.0 110.42 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -91.7 -33.18 15.15 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -169.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 60.05 100.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.498 2.319 . . . . 0.0 115.934 -169.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.78 60.84 3.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.71 2.404 . . . . 0.0 111.885 169.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.53 79.63 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.547 1.539 . . . . 0.0 109.648 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.87 -28.21 69.39 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 119.854 -1.778 . . . . 0.0 110.801 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -59.35 0.59 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.285 2.234 . . . . 0.0 114.06 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -117.18 -35.46 4.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.915 1.686 . . . . 0.0 112.561 169.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.61 -32.7 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.339 -0.85 . . . . 0.0 113.004 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -35.8 55.56 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -14.21 60.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.263 1.825 . . . . 0.0 113.062 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -86.6 -54.28 4.48 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.557 -0.714 . . . . 0.0 110.77 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.7 -42.49 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.37 0.668 . . . . 0.0 112.132 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.06 -101.93 0.15 Allowed Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.252 0.929 . . . . 0.0 113.888 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -143.15 29.54 1.46 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.886 2.474 . . . . 0.0 110.94 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -57.66 154.96 10.63 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.386 1.874 . . . . 0.0 113.894 -170.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.428 HG23 HG22 ' A' ' 43' ' ' VAL 0.335 2.9 t -83.67 23.13 1.0 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -177.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.5 t 59.26 -38.62 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 130.283 3.433 . . . . 0.0 116.715 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 41' ' ' THR . 34.4 m -54.46 -44.66 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 121.103 1.774 . . . . 0.0 115.127 -170.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.18 -37.85 88.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.429 1.891 . . . . 0.0 111.166 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.29 -31.8 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 123.928 0.891 . . . . 0.0 111.508 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -64.68 -47.69 77.5 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.811 1.187 . . . . 0.0 112.483 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 p -70.3 -35.97 74.02 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -32.77 66.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.181 -0.914 . . . . 0.0 113.101 171.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.62 -53.96 47.74 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.506 1.048 . . . . 0.0 109.803 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -46.89 -27.08 1.13 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -61.51 -36.21 79.87 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 119.822 -1.799 . . . . 0.0 113.659 171.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -41.68 90.13 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.766 1.166 . . . . 0.0 110.018 173.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -67.01 -32.8 74.27 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.2 1.0 . . . . 0.0 112.261 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.3 mt -76.14 -9.34 58.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.307 1.443 . . . . 0.0 113.556 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -97.3 -35.65 10.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.939 1.295 . . . . 0.0 112.984 167.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.46 136.24 57.91 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.829 1.252 . . . . 0.0 113.059 -176.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -58.38 137.24 57.39 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.682 1.193 . . . . 0.0 113.273 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -77.41 -3.93 42.76 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.691 1.996 . . . . 0.0 116.14 -172.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.7 m -58.08 130.74 48.01 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.956 1.302 . . . . 0.0 110.416 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.393 0 C-N-CA 125.77 1.628 . . . . 0.0 114.91 -168.792 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.922 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.52 169.14 7.13 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 124.016 3.144 . . . . 0.0 114.069 173.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.65 -43.36 69.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.321 1.048 . . . . 0.0 112.896 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.15 157.54 51.23 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.381 0.991 . . . . 0.0 113.943 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -51.6 127.03 19.21 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.928 0.891 . . . . 0.0 112.214 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -59.63 -44.96 93.3 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.425 1.09 . . . . 0.0 111.66 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -146.01 106.19 4.03 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.42 1.488 . . . . 0.0 110.54 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -148.79 81.96 1.45 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.332 1.853 . . . . 0.0 110.616 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -85.03 46.55 1.29 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.336 1.855 . . . . 0.0 112.065 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -155.72 146.14 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.364 1.466 . . . . 0.0 111.466 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -68.75 159.99 31.24 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.5 151.75 48.77 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.181 1.392 . . . . 0.0 109.722 169.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -66.92 -2.62 5.47 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.53 -17.86 13.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.03 1.732 . . . . 0.0 112.503 167.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.11 -30.6 39.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.568 1.147 . . . . 0.0 109.848 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -34.1 67.6 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.195 0.998 . . . . 0.0 112.086 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.48 -29.07 58.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.49 1.116 . . . . 0.0 112.406 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.32 -37.75 56.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.79 0.836 . . . . 0.0 112.446 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -39.41 77.51 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.801 -1.187 . . . . 0.0 111.005 172.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.26 -17.36 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.557 1.543 . . . . 0.0 112.232 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -81.0 -49.3 11.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 120.858 -1.151 . . . . 0.0 112.291 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.41 -21.46 34.1 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.148 0.88 . . . . 0.0 112.803 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.51 -34.03 76.07 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.802 0.801 . . . . 0.0 111.708 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.61 -5.45 55.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.629 1.971 . . . . 0.0 114.045 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -101.91 -54.76 2.65 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.356 1.062 . . . . 0.0 111.85 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -95.5 -22.88 17.37 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.596 1.558 . . . . 0.0 113.967 -171.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 m80 56.23 84.49 0.08 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.49 1.916 . . . . 0.0 114.533 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tptp 70.06 48.24 0.54 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.69 1.596 . . . . 0.0 113.441 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -152.97 90.18 1.43 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.972 1.709 . . . . 0.0 109.736 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.51 -22.34 65.45 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.657 -1.277 . . . . 0.0 112.247 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.45 -3.3 4.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.27 2.628 . . . . 0.0 113.612 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -116.58 -31.21 5.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.772 1.229 . . . . 0.0 112.336 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.4 mt -52.69 -38.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.072 0.949 . . . . 0.0 112.791 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -32.9 51.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.32 -22.66 54.69 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.601 1.16 . . . . 0.0 113.249 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -79.21 -49.84 11.9 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.403 -0.811 . . . . 0.0 109.917 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.88 -43.41 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.594 173.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.03 112.73 3.25 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.402 1.477 . . . . 0.0 113.875 171.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.305 2.7 t 57.91 25.55 12.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 127.629 2.372 . . . . 0.0 115.665 170.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -85.35 162.51 19.03 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.662 -1.274 . . . . 0.0 112.423 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.8 t -83.38 145.94 28.74 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.389 -0.819 . . . . 0.0 110.102 166.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.27 -18.91 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 120.776 -1.203 . . . . 0.0 112.069 173.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.87 -52.14 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.424 1.09 . . . . 0.0 113.271 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -29.92 60.9 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.801 1.182 . . . . 0.0 112.261 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.73 -40.52 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.571 0.749 . . . . 0.0 110.679 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -59.1 -43.86 91.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.883 0.873 . . . . 0.0 112.198 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -57.56 -53.27 60.07 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.932 0.893 . . . . 0.0 111.432 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -38.46 84.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.628 0.771 . . . . 0.0 112.773 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.08 57.68 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -83.32 -28.57 28.96 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 119.702 -1.874 . . . . 0.0 111.422 165.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -74.51 -36.18 63.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -54.34 -36.07 63.41 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.256 0.934 . . . . 0.0 111.713 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -67.82 -25.13 65.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.18 0.992 . . . . 0.0 112.07 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.79 -31.79 65.12 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.835 1.254 . . . . 0.0 112.696 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -86.24 -27.05 24.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.273 1.029 . . . . 0.0 112.842 174.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.9 tp -70.25 114.82 8.76 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.0 1.32 . . . . 0.0 111.767 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.55 136.47 57.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.122 0.569 . . . . 0.0 111.914 174.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.54 147.41 51.47 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.536 1.134 . . . . 0.0 113.841 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.6 p -88.6 155.98 19.31 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.517 2.327 . . . . 0.0 113.189 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.403 0 C-N-CA 124.373 1.069 . . . . 0.0 112.599 171.587 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.093 0 CA-C-O 118.8 -1.0 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.9 153.74 30.0 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 124.281 3.321 . . . . 0.0 116.632 -169.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.98 136.6 40.01 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.61 1.964 . . . . 0.0 111.834 174.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.83 -178.59 42.44 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.35 0.976 . . . . 0.0 115.467 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -151.56 160.08 43.83 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.082 1.753 . . . . 0.0 109.675 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -136.19 149.95 48.81 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -141.34 -19.4 0.78 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.088 2.555 . . . . 0.0 113.548 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 tpt85 -150.78 143.59 24.56 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.479 1.036 . . . . 0.0 111.787 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -76.63 -2.24 31.7 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.109 1.763 . . . . 0.0 114.855 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.77 163.5 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 127.347 2.259 . . . . 0.0 110.587 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -58.63 143.8 45.21 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.37 0.986 . . . . 0.0 113.39 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 p -143.11 161.84 37.13 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.847 1.659 . . . . 0.0 110.918 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -72.13 -1.51 15.16 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.12 13.89 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.116 1.366 . . . . 0.0 111.694 168.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -85.54 -27.98 25.21 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 120.658 -1.277 . . . . 0.0 111.363 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.08 51.68 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.579 -0.701 . . . . 0.0 110.802 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.88 -26.89 62.72 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.564 1.546 . . . . 0.0 113.607 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -76.05 -45.34 34.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 127.558 2.343 . . . . 0.0 111.987 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.73 -39.07 76.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.324 0.65 . . . . 0.0 110.249 177.739 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.73 -21.38 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.221 1.008 . . . . 0.0 112.313 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.47 -47.74 25.81 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.615 -1.303 . . . . 0.0 111.276 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.49 -22.13 30.27 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-O 119.623 -0.543 . . . . 0.0 113.396 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.33 -27.9 66.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.81 1.305 . . . . 0.0 112.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.02 24.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.783 1.633 . . . . 0.0 113.638 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -87.2 -56.36 3.41 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.143 0.883 . . . . 0.0 111.953 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -94.82 -30.24 14.32 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.613 1.565 . . . . 0.0 113.881 -173.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 t60 50.87 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.155 2.182 . . . . 0.0 115.379 -169.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.0 56.88 6.52 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.162 2.185 . . . . 0.0 112.295 170.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -153.83 80.23 1.15 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.77 1.271 . . . . 0.0 109.628 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -65.35 -27.73 68.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.596 -1.315 . . . . 0.0 111.482 -169.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -56.88 -5.47 0.24 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.074 2.149 . . . . 0.0 114.426 171.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -115.69 -29.74 6.35 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.293 1.406 . . . . 0.0 112.575 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.44 -35.77 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.663 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -25.15 64.49 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.66 -39.12 64.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.382 0.673 . . . . 0.0 112.494 171.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -68.84 -41.05 79.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.246 1.022 . . . . 0.0 113.177 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.12 -19.49 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 126.151 1.78 . . . . 0.0 113.794 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.72 48.41 0.07 OUTLIER Glycine 0 CA--C 1.534 1.228 0 N-CA-C 116.509 1.363 . . . . 0.0 116.509 170.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m 51.09 39.54 23.57 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.84 1.656 . . . . 0.0 114.086 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -80.51 -176.67 5.84 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.424 1.49 . . . . 0.0 112.451 172.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.68 155.67 20.29 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.252 1.021 . . . . 0.0 110.405 167.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.32 -18.81 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 125.307 1.443 . . . . 0.0 113.661 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.26 -41.57 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -168.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.559 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -86.45 -29.98 22.4 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.043 1.737 . . . . 0.0 111.879 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -64.25 -31.92 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.816 0.846 . . . . 0.0 111.106 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -56.78 -49.13 76.24 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.156 1.382 . . . . 0.0 113.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 p -78.12 -35.83 48.62 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -38.74 91.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.46 0.704 . . . . 0.0 111.697 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.77 -59.86 3.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.262 0.625 . . . . 0.0 111.365 173.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -50.67 -16.73 0.42 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -66.1 -36.39 83.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 120.216 1.371 . . . . 0.0 112.58 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -43.42 77.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.652 1.115 . . . . 0.0 109.706 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -67.88 -24.72 65.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.314 1.446 . . . . 0.0 113.206 -174.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.73 -34.38 40.03 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.89 1.276 . . . . 0.0 112.922 170.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -80.37 -32.3 37.67 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 mt -54.2 143.72 22.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.337 1.055 . . . . 0.0 112.567 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -156.47 148.72 23.3 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -66.21 161.63 21.69 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.311 1.444 . . . . 0.0 112.642 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.7 p -70.76 123.52 22.12 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.578 0.704 . . . . 0.0 111.216 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.398 0 C-N-CA 125.676 1.591 . . . . 0.0 112.841 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.996 0 CA-C-O 117.767 -1.574 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -58.68 -31.7 95.34 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 124.058 3.172 . . . . 0.0 116.031 -172.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -130.56 147.79 52.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.059 1.744 . . . . 0.0 110.655 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.59 26.69 68.66 Favored Glycine 0 CA--C 1.539 1.589 0 O-C-N 121.507 -0.746 . . . . 0.0 113.19 -169.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -57.39 -21.6 37.24 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.62 1.968 . . . . 0.0 115.697 -167.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.76 -16.62 63.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.247 1.019 . . . . 0.0 113.659 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -77.78 136.37 38.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.066 0.946 . . . . 0.0 110.537 170.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -92.14 160.17 15.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.794 1.238 . . . . 0.0 113.857 -172.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.37 -40.1 15.75 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.885 0.874 . . . . 0.0 110.916 169.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.0 t -68.57 146.67 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 126.568 1.947 . . . . 0.0 110.856 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -56.99 145.15 31.29 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -133.57 167.92 19.6 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.897 1.679 . . . . 0.0 110.596 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.58 -45.58 82.7 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.785 -1.197 . . . . 0.0 112.555 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -18.53 64.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -84.22 -39.15 19.66 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.702 -1.249 . . . . 0.0 110.795 171.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -42.18 79.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.116 -0.99 . . . . 0.0 111.417 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -9.87 1.57 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.774 1.63 . . . . 0.0 115.093 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -100.38 -34.99 9.74 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.965 1.306 . . . . 0.0 112.284 169.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -60.33 -39.92 88.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.387 -1.445 . . . . 0.0 110.494 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.5 -13.81 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.745 1.218 . . . . 0.0 113.509 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.9 -47.9 9.23 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.445 1.498 . . . . 0.0 111.413 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.12 -19.99 18.61 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.605 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.39 -40.64 95.1 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.902 1.351 . . . . 0.0 111.072 172.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.78 58.94 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.529 1.532 . . . . 0.0 113.894 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.7 mt -86.71 -55.21 3.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.996 1.318 . . . . 0.0 111.762 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -96.47 -24.73 15.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.413 1.485 . . . . 0.0 113.825 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 59.74 85.56 0.1 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.194 1.398 . . . . 0.0 113.697 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? 57.39 58.4 3.86 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.634 1.574 . . . . 0.0 111.828 173.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -155.72 85.28 1.04 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 123.609 1.671 . . . . 0.0 109.546 -169.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -67.14 -26.37 66.63 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.462 -1.399 . . . . 0.0 111.401 -171.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 34.3 mmtt -57.24 -2.85 0.12 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.929 2.092 . . . . 0.0 114.736 169.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -121.27 -30.57 4.27 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.621 1.1 . . . . 0.0 112.491 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.5 mt -54.24 -36.84 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -59.09 -27.33 65.46 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.51 -49.06 72.81 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.338 1.055 . . . . 0.0 110.972 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -72.18 -40.62 67.8 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.896 1.278 . . . . 0.0 111.636 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mm -65.83 -15.25 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.411 1.884 . . . . 0.0 113.698 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.64 50.64 0.27 Allowed Glycine 0 N--CA 1.477 1.415 0 C-N-CA 125.249 1.404 . . . . 0.0 115.999 168.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 m 55.15 36.56 27.26 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.96 1.704 . . . . 0.0 113.49 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -79.36 -179.97 7.09 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.33 1.852 . . . . 0.0 112.745 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 p -78.36 165.66 23.57 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.804 -1.185 . . . . 0.0 111.187 166.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t -93.61 -20.6 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.588 -1.32 . . . . 0.0 113.621 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.5 t -50.42 -53.91 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 120.082 1.31 . . . . 0.0 113.515 -171.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.602 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.03 -34.44 78.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.502 1.921 . . . . 0.0 112.517 175.4 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.56 -35.45 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.223 -0.923 . . . . 0.0 111.206 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.76 -51.68 68.57 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.277 0.631 . . . . 0.0 112.318 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -71.81 -30.49 65.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.71 0.804 . . . . 0.0 113.073 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -37.84 43.96 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.1 -56.21 15.9 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 124.198 0.999 . . . . 0.0 110.292 174.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -45.69 -23.06 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -68.63 -34.76 76.29 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.0 1.273 . . . . 0.0 113.762 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.98 -42.46 85.14 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.451 1.478 . . . . 0.0 109.915 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.86 -44.16 77.77 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.131 0.973 . . . . 0.0 112.935 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.9 -9.87 58.56 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -77.35 -27.32 52.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.819 1.247 . . . . 0.0 113.011 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.49 130.55 47.16 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.984 1.314 . . . . 0.0 112.042 -174.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 m120 55.02 29.53 12.52 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -68.84 -27.09 65.52 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.069 -1.019 . . . . 0.0 113.461 175.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.8 m -71.28 132.36 44.81 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.854 1.262 . . . . 0.0 111.614 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 C-N-CA 125.56 1.544 . . . . 0.0 113.827 -175.4 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.95 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.18 -38.69 1.41 Allowed 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.544 2.83 . . . . 0.0 112.474 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.4 144.12 32.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.349 1.86 . . . . 0.0 113.488 -175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.75 46.13 95.08 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 123.064 0.364 . . . . 0.0 113.048 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -67.48 137.12 55.58 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.755 -0.85 . . . . 0.0 112.616 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.6 140.38 21.78 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 169.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.32 166.19 18.88 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.876 1.67 . . . . 0.0 113.06 177.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -116.46 -51.92 2.59 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.667 1.587 . . . . 0.0 111.99 168.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -125.78 -31.24 2.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.76 1.624 . . . . 0.0 113.403 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.0 162.39 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.142 0.977 . . . . 0.0 113.151 -177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -79.94 159.77 26.2 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.27 158.09 45.26 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.637 1.575 . . . . 0.0 109.907 168.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.05 -5.16 16.11 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.29 -21.75 13.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 0.0 112.455 168.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.31 -31.7 26.72 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.196 -0.94 . . . . 0.0 110.808 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -36.82 64.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 111.018 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.48 45.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.997 1.319 . . . . 0.0 113.058 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.03 -36.16 61.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.54 1.136 . . . . 0.0 113.465 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.14 79.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.407 0.683 . . . . 0.0 110.306 172.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.4 t -67.52 -13.76 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.391 1.476 . . . . 0.0 112.495 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.81 -47.83 9.35 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.332 -1.48 . . . . 0.0 112.022 173.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -22.4 21.58 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-N 118.429 0.559 . . . . 0.0 113.531 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.82 -30.41 71.51 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.319 1.06 . . . . 0.0 112.335 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 -14.26 30.58 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.485 1.914 . . . . 0.0 114.153 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.0 mt -94.5 -51.73 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.343 1.057 . . . . 0.0 111.587 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.03 -29.12 14.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.238 1.415 . . . . 0.0 113.385 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 55.3 86.48 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.987 1.315 . . . . 0.0 113.354 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm 60.1 70.98 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.143 1.777 . . . . 0.0 111.02 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -161.47 80.76 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.576 1.55 . . . . 0.0 110.688 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.444 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.2 m95 -65.97 -31.5 72.45 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 120.125 -1.609 . . . . 0.0 111.331 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -1.93 0.19 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.518 2.727 . . . . 0.0 114.371 170.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -111.25 -34.9 6.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.025 1.33 . . . . 0.0 111.536 166.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.83 -33.8 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.504 1.122 . . . . 0.0 113.257 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -27.09 62.2 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.27 -22.47 44.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.474 1.109 . . . . 0.0 113.921 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -81.52 -48.33 11.96 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.384 0.612 . . . . 0.0 109.872 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.82 -38.1 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.516 0.726 . . . . 0.0 111.632 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.63 8.6 58.25 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.84 1.209 . . . . 0.0 115.674 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -64.57 -27.93 69.29 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.322 1.561 . . . . 0.0 113.437 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 61.08 6.05 1.18 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -169.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -133.93 134.56 42.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.906 1.282 . . . . 0.0 112.579 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -90.82 -14.88 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.856 2.062 . . . . 0.0 112.808 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.12 -50.17 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.436 1.471 . . . . 0.0 113.392 -170.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.612 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.51 -34.27 69.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.283 1.433 . . . . 0.0 112.321 174.32 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.16 -39.46 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.079 0.952 . . . . 0.0 110.805 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.8 -49.62 72.7 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.136 1.374 . . . . 0.0 111.317 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -67.1 -40.75 86.97 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.384 1.074 . . . . 0.0 112.411 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -36.18 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 172.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -70.88 -3.83 21.17 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.46 -1.4 . . . . 0.0 114.439 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -88.98 -27.85 20.62 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 126.44 1.896 . . . . 0.0 111.928 165.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -68.27 -43.69 77.2 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.767 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -54.09 -37.86 64.7 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.948 0.795 . . . . 0.0 111.227 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -66.77 -29.53 69.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.38 1.472 . . . . 0.0 111.979 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.7 mt -75.04 -25.17 58.5 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.793 1.637 . . . . 0.0 113.121 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.25 -18.27 46.56 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.646 1.178 . . . . 0.0 113.513 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.2 mt -69.19 143.04 54.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.581 1.152 . . . . 0.0 110.95 170.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -64.24 134.1 54.09 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.438 1.095 . . . . 0.0 111.222 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -62.51 -30.76 71.51 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 121.258 -0.901 . . . . 0.0 112.265 174.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.306 1.0 OUTLIER 51.55 28.22 4.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 128.688 2.795 . . . . 0.0 114.502 173.475 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.349 0 C-N-CA 127.019 2.128 . . . . 0.0 115.036 -169.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.9 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -65.4 -16.5 54.54 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.758 2.972 . . . . 0.0 116.578 -170.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -145.08 160.87 40.72 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.052 1.741 . . . . 0.0 111.678 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.25 159.37 18.88 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.027 1.775 . . . . 0.0 113.111 171.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -165.33 155.31 13.12 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.824 1.65 . . . . 0.0 110.228 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.53 -6.14 41.88 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -123.2 171.26 9.48 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.558 1.943 . . . . 0.0 111.253 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -75.2 24.36 0.1 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.935 1.294 . . . . 0.0 112.949 174.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -75.24 -15.28 60.55 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.139 2.176 . . . . 0.0 113.658 -170.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.39 174.94 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 127.116 2.166 . . . . 0.0 110.781 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -52.9 145.78 12.02 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 p -135.22 160.31 38.78 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.648 1.179 . . . . 0.0 112.939 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -72.46 23.2 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.762 1.625 . . . . 0.0 114.38 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.26 -17.27 0.92 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.666 1.987 . . . . 0.0 112.852 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.95 -39.94 14.32 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.033 0.933 . . . . 0.0 109.553 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.12 78.89 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.616 -0.677 . . . . 0.0 111.748 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -11.4 1.84 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.252 1.821 . . . . 0.0 114.878 173.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -90.07 -41.64 11.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.14 1.776 . . . . 0.0 111.448 171.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -39.48 75.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.004 -1.06 . . . . 0.0 110.742 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.63 -12.87 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.09 2.156 . . . . 0.0 113.351 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.98 -48.5 6.95 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.035 1.334 . . . . 0.0 112.116 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.84 -20.79 27.42 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.427 0.558 . . . . 0.0 113.581 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -61.98 -33.04 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.323 1.061 . . . . 0.0 112.004 172.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.98 -6.52 55.56 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.423 1.889 . . . . 0.0 114.524 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -105.26 -53.43 2.66 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.119 1.368 . . . . 0.0 112.224 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -95.96 -22.46 17.39 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.638 1.175 . . . . 0.0 113.598 -174.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 56.89 82.5 0.12 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.695 1.998 . . . . 0.0 113.768 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 57.45 66.33 1.17 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.5 2.32 . . . . 0.0 111.978 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -155.37 79.47 1.03 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.282 1.433 . . . . 0.0 108.075 -170.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.436 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.5 m95 -65.57 -29.68 70.33 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.648 -1.283 . . . . 0.0 110.222 -171.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -58.36 5.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 129.361 3.065 . . . . 0.0 114.954 170.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -124.69 -34.59 2.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.952 1.701 . . . . 0.0 112.595 168.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.3 mt -54.74 -38.28 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.409 1.004 . . . . 0.0 112.969 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -33.01 22.02 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -76.39 -24.09 54.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.788 1.235 . . . . 0.0 113.501 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -81.28 -43.42 19.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.997 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.36 -39.71 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.529 1.132 . . . . 0.0 110.23 170.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.2 102.98 2.25 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.089 0.852 . . . . 0.0 113.984 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.5 m 64.5 19.04 11.67 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.039 1.336 . . . . 0.0 114.597 167.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -81.29 166.78 20.21 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.254 -1.529 . . . . 0.0 112.77 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 p -79.49 170.26 16.84 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 165.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -81.6 -16.95 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.4 -1.438 . . . . 0.0 112.813 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.48 -48.95 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.946 -1.096 . . . . 0.0 113.562 -169.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -35.91 81.02 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 111.801 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.1 -33.44 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -58.15 -37.15 74.1 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.987 1.267 . . . . 0.0 112.187 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -68.97 -51.43 39.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.686 1.995 . . . . 0.0 111.986 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.12 34.76 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.741 -0.6 . . . . 0.0 112.506 -177.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -70.51 -6.12 33.88 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -87.3 -32.65 19.56 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.482 -1.386 . . . . 0.0 110.682 164.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -67.84 -34.7 77.22 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 117.378 -1.296 . . . . 0.0 114.385 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.43 -41.5 72.87 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.108 1.322 . . . . 0.0 110.935 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.0 -30.58 69.01 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.307 1.043 . . . . 0.0 112.617 -173.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.96 -27.31 66.49 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.647 0.779 . . . . 0.0 112.426 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -94.22 -37.33 11.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.506 1.522 . . . . 0.0 112.575 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.46 144.74 55.6 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.727 1.611 . . . . 0.0 113.199 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -152.04 146.48 25.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.577 0.751 . . . . 0.0 110.152 165.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -55.29 -17.46 4.69 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -172.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.7 p -79.86 -18.96 49.45 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -172.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 C-N-CA 127.971 2.508 . . . . 0.0 115.505 172.573 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.991 0 CA-C-O 119.017 -0.88 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -62.68 147.1 95.2 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.134 2.556 . . . . 0.0 110.761 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.6 mt 58.24 12.76 2.05 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 114.376 -173.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.5 11.08 64.52 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.71 1.624 . . . . 0.0 116.125 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -65.46 -46.55 79.41 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.183 1.492 . . . . 0.0 114.288 -168.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -74.19 111.45 9.37 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.729 1.15 . . . . 0.0 112.581 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -88.45 -19.48 26.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.193 1.397 . . . . 0.0 112.929 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -142.43 172.52 12.57 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.969 2.507 . . . . 0.0 110.061 169.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -135.98 150.85 49.41 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.675 -0.641 . . . . 0.0 112.672 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.83 115.43 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.67 1.588 . . . . 0.0 108.775 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -65.98 153.47 42.04 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.158 0.983 . . . . 0.0 112.733 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -136.83 166.04 24.55 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.948 1.299 . . . . 0.0 110.113 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -73.65 -27.08 61.07 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.097 -1.002 . . . . 0.0 112.936 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.98 -23.71 52.3 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.206 1.003 . . . . 0.0 113.118 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.21 -39.82 16.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.193 0.906 . . . . 0.0 110.106 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.66 76.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.259 -0.901 . . . . 0.0 112.031 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.46 -16.02 8.42 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.1 -45.53 13.87 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.361 1.437 . . . . 0.0 112.09 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.13 -38.15 73.05 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.234 -0.916 . . . . 0.0 111.678 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.5 -19.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.496 1.119 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -81.23 -43.18 19.62 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.943 -1.098 . . . . 0.0 112.049 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.35 -20.51 29.84 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.177 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.78 -17.64 62.78 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.898 1.349 . . . . 0.0 113.313 173.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.11 -23.47 17.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 113.214 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.93 -57.27 3.1 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.342 1.057 . . . . 0.0 111.952 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -98.7 -8.93 25.33 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.601 1.56 . . . . 0.0 113.35 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m80 67.69 -56.62 0.47 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.437 2.695 . . . . 0.0 116.232 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -163.83 64.61 0.16 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.185 1.394 . . . . 0.0 111.55 -173.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -155.98 95.06 1.59 Allowed 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.843 1.257 . . . . 0.0 109.901 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -65.81 -25.17 67.11 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 120.805 -1.184 . . . . 0.0 110.455 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -59.16 -5.3 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.738 1.615 . . . . 0.0 113.783 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -116.6 -30.61 5.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.906 1.683 . . . . 0.0 112.185 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.3 mt -57.74 -29.67 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.679 -1.263 . . . . 0.0 113.025 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -28.71 62.35 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.54 -34.19 69.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.781 1.633 . . . . 0.0 112.642 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -76.57 -44.93 32.62 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.64 -0.663 . . . . 0.0 110.621 -171.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.5 -23.71 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 124.185 0.994 . . . . 0.0 111.606 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.26 20.49 78.94 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.614 -1.303 . . . . 0.0 114.518 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.1 t -90.32 -13.15 35.78 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.298 1.439 . . . . 0.0 113.368 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 65.1 -4.57 0.49 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 117.464 2.394 . . . . 0.0 117.464 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.0 p -123.47 150.18 44.19 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.488 1.515 . . . . 0.0 113.048 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -101.39 -17.38 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.875 1.27 . . . . 0.0 112.344 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.2 -43.9 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -170.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.573 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -70.52 -41.13 72.99 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.361 1.864 . . . . 0.0 112.728 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.38 -31.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.685 0.794 . . . . 0.0 111.982 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -62.47 -45.28 93.76 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.856 0.753 . . . . 0.0 112.983 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 m -77.97 -37.25 47.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.467 1.107 . . . . 0.0 112.989 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -29.92 62.69 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -54.44 -56.84 14.61 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 119.417 1.008 . . . . 0.0 109.805 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -48.04 -28.16 2.67 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -61.17 -36.66 80.43 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 117.452 -1.261 . . . . 0.0 112.866 171.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -39.44 70.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.56 1.527 . . . . 0.0 111.227 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -71.18 -29.16 64.83 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.364 1.066 . . . . 0.0 112.231 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.1 mt -79.61 -33.32 41.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.042 0.937 . . . . 0.0 113.515 172.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -71.69 -28.09 63.48 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.895 0.878 . . . . 0.0 112.226 169.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 tp -68.35 151.52 46.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.512 1.525 . . . . 0.0 111.741 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -59.15 137.38 57.98 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -171.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.53 153.1 42.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.333 1.053 . . . . 0.0 111.06 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.3 m -56.85 140.71 47.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.59 1.156 . . . . 0.0 111.642 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.422 0 CA-C-O 117.426 -1.274 . . . . 0.0 113.353 -177.505 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.034 0 CA-C-O 119.883 -0.398 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.37 -5.89 10.12 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 124.348 3.365 . . . . 0.0 116.474 -169.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -149.88 144.58 26.02 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.43 1.468 . . . . 0.0 113.101 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.65 -164.73 39.48 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.138 1.828 . . . . 0.0 114.582 -177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 m -68.44 164.92 19.96 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.669 1.188 . . . . 0.0 113.563 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -61.98 129.16 39.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.201 1.001 . . . . 0.0 112.374 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -68.66 163.16 24.44 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.345 1.858 . . . . 0.0 113.159 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -117.16 144.92 44.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.773 1.229 . . . . 0.0 113.191 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -75.95 -37.78 58.29 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.648 1.179 . . . . 0.0 112.761 174.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -78.55 150.09 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.502 1.121 . . . . 0.0 112.103 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -59.34 142.44 52.12 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.14 0.971 . . . . 0.0 113.172 170.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t -151.51 156.46 40.6 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.374 1.87 . . . . 0.0 109.192 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.12 -37.17 71.59 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 120.518 1.508 . . . . 0.0 114.257 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.23 66.2 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.593 -0.692 . . . . 0.0 112.595 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.91 -41.55 13.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.413 1.085 . . . . 0.0 111.168 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -37.36 72.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.17 -27.22 13.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.877 1.271 . . . . 0.0 113.917 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -89.98 -32.33 16.84 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.276 1.43 . . . . 0.0 113.244 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.53 -39.96 81.62 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.338 -0.851 . . . . 0.0 111.176 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -62.82 -19.66 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -85.78 -44.09 12.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.131 -0.981 . . . . 0.0 113.247 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.95 -18.74 34.47 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 118.983 0.81 . . . . 0.0 113.438 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.41 -37.08 84.43 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.959 0.879 . . . . 0.0 111.33 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.53 60.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.901 1.28 . . . . 0.0 113.391 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -83.89 -54.86 4.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 111.822 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.53 -26.86 19.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.393 1.477 . . . . 0.0 113.232 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 t60 51.11 98.71 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.006 2.123 . . . . 0.0 114.686 -170.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? 57.35 56.53 5.03 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.79 1.636 . . . . 0.0 112.182 168.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.89 81.72 1.21 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.347 1.059 . . . . 0.0 110.562 -172.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -62.37 -26.48 68.48 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.951 -1.093 . . . . 0.0 112.284 -170.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.16 3.3 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 128.841 2.856 . . . . 0.0 115.076 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -120.6 -33.05 3.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.98 1.312 . . . . 0.0 111.548 169.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -56.09 -36.71 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.837 0.855 . . . . 0.0 112.767 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -35.35 16.81 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.74 -21.52 37.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -80.48 -38.94 28.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.125 0.964 . . . . 0.0 112.008 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.67 -34.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.066 1.346 . . . . 0.0 113.544 170.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.84 -104.8 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 CA-C-N 119.192 0.906 . . . . 0.0 114.033 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -148.52 17.14 1.03 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.946 1.698 . . . . 0.0 112.628 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -57.82 156.24 9.15 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.821 1.649 . . . . 0.0 112.159 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -76.49 154.67 34.46 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.926 -1.108 . . . . 0.0 109.764 168.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -74.43 -3.37 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 119.956 -1.715 . . . . 0.0 114.831 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -52.59 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 124.894 1.278 . . . . 0.0 114.362 -172.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.578 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.48 -34.04 69.83 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.768 1.227 . . . . 0.0 110.661 175.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.15 -40.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.072 0.949 . . . . 0.0 110.687 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -63.24 -38.31 90.66 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.345 1.458 . . . . 0.0 112.876 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -75.03 -47.62 28.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.872 2.469 . . . . 0.0 112.845 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -33.77 74.55 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.758 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.14 -58.27 6.55 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 123.718 0.807 . . . . 0.0 110.32 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -48.1 -24.82 1.22 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.97 -29.31 69.69 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.941 1.246 . . . . 0.0 114.278 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.86 72.27 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.449 1.477 . . . . 0.0 112.207 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -67.5 -28.82 68.16 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.6 mt -53.16 -38.46 62.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.126 0.57 . . . . 0.0 112.469 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -64.02 -44.95 91.03 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.918 0.887 . . . . 0.0 111.871 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -76.01 -27.32 57.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.807 1.243 . . . . 0.0 114.324 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -62.1 143.24 56.94 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.112 0.965 . . . . 0.0 112.14 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.31 124.96 22.59 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.762 0.825 . . . . 0.0 111.852 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.4 t -67.14 -24.65 65.92 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -171.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.015 2.126 . . . . 0.0 112.893 173.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.71 -12.23 26.49 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.725 2.95 . . . . 0.0 115.707 -175.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.52 126.39 33.81 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.394 1.452 . . . . 0.0 111.763 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 -175.36 34.2 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 126.079 1.799 . . . . 0.0 114.05 171.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -165.52 148.23 7.78 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.824 1.65 . . . . 0.0 110.489 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -71.91 -19.46 61.92 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -99.3 138.31 36.58 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.109 1.764 . . . . 0.0 111.883 -177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -77.18 52.74 0.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.669 1.188 . . . . 0.0 112.665 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.56 152.02 37.81 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.132 -0.98 . . . . 0.0 113.404 -173.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.53 152.97 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 126.124 1.77 . . . . 0.0 114.103 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -54.56 149.75 10.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.931 1.693 . . . . 0.0 113.117 171.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.8 159.96 40.28 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.067 1.347 . . . . 0.0 110.396 170.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -69.79 -5.56 26.29 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.85 -22.67 17.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.062 -1.024 . . . . 0.0 111.846 167.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.88 -36.02 14.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.697 1.599 . . . . 0.0 111.126 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -33.05 65.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.518 1.527 . . . . 0.0 111.286 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.87 -27.62 44.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.754 1.222 . . . . 0.0 113.034 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.91 -36.16 49.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.249 0.62 . . . . 0.0 110.831 170.4 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.45 -19.58 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.976 0.911 . . . . 0.0 112.581 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -82.35 -42.12 19.12 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.232 -0.918 . . . . 0.0 112.731 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.88 -19.25 49.56 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-O 119.435 -0.647 . . . . 0.0 112.6 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.25 -13.0 61.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.192 1.496 . . . . 0.0 112.986 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.16 -4.86 25.16 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.483 1.913 . . . . 0.0 114.042 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -107.66 -55.42 2.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.975 1.31 . . . . 0.0 111.775 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -102.23 -10.7 19.33 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.317 2.247 . . . . 0.0 113.192 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 m80 68.32 -61.52 0.39 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.83 2.452 . . . . 0.0 115.994 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.76 58.43 0.43 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.943 1.297 . . . . 0.0 111.312 -169.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -156.19 89.77 1.16 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 123.073 1.416 . . . . 0.0 110.192 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -65.72 -25.62 67.38 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.105 -0.997 . . . . 0.0 111.266 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -4.5 2.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.495 1.918 . . . . 0.0 113.601 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -114.54 -32.4 5.9 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.673 1.124 . . . . 0.0 112.064 171.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.03 -30.75 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.906 1.282 . . . . 0.0 112.412 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -31.91 28.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 169.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.02 -16.03 51.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.136 0.974 . . . . 0.0 113.55 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -82.44 -47.99 11.6 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.55 -0.719 . . . . 0.0 111.017 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.53 -32.45 36.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.313 1.045 . . . . 0.0 112.152 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.06 22.27 33.21 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.648 1.118 . . . . 0.0 114.677 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 p -77.77 -27.9 50.42 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.189 1.495 . . . . 0.0 113.859 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 66.29 -47.21 0.43 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.47 2.308 . . . . 0.0 114.734 -168.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 p -78.22 148.01 34.18 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.851 2.46 . . . . 0.0 113.465 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -112.89 -22.23 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.456 1.502 . . . . 0.0 114.547 -168.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.66 -38.48 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -171.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.41 -31.37 69.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.176 1.791 . . . . 0.0 113.137 171.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -69.03 -39.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.792 -1.192 . . . . 0.0 110.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -54.23 -49.91 68.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.57 1.548 . . . . 0.0 112.464 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.4 p -75.97 -36.13 59.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.9 1.28 . . . . 0.0 113.333 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -32.32 70.35 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 172.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -56.45 -55.4 34.07 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.103 0.865 . . . . 0.0 110.655 -177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -44.09 -29.22 0.58 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -63.56 -32.43 73.89 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.727 -1.233 . . . . 0.0 113.879 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -41.63 89.14 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.146 1.339 . . . . 0.0 110.748 171.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -72.92 -41.04 64.97 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.05 1.34 . . . . 0.0 112.044 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.29 -41.72 98.74 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.26 1.024 . . . . 0.0 112.402 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -74.69 -31.45 61.9 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.38 -35.07 79.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.728 1.211 . . . . 0.0 112.26 172.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -54.77 128.27 32.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.148 0.579 . . . . 0.0 111.361 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt 60.91 -7.97 0.08 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.8 m -82.66 123.71 29.52 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 120.014 1.279 . . . . 0.0 112.417 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 C-N-CA 128.121 2.568 . . . . 0.0 116.062 169.925 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.028 0 CA-C-O 119.506 -0.608 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.87 151.82 81.58 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 125.296 3.997 . . . . 0.0 113.248 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.5 mt -136.79 177.54 7.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.774 1.629 . . . . 0.0 112.446 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.36 -122.22 17.54 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.271 0.938 . . . . 0.0 111.695 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -72.23 -18.24 61.84 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 50.07 23.36 1.11 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.127 2.171 . . . . 0.0 114.054 -170.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -87.57 140.1 29.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.482 1.113 . . . . 0.0 112.801 -169.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -66.46 -7.15 17.67 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -170.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -71.77 -26.09 62.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.689 1.196 . . . . 0.0 114.134 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 m -130.49 170.43 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 C-N-CA 125.406 1.482 . . . . 0.0 113.554 -168.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -66.35 157.32 32.07 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -171.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -135.76 164.63 27.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.723 2.009 . . . . 0.0 110.337 168.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -59.09 -12.54 5.05 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.84 5.33 3.63 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.305 1.842 . . . . 0.0 113.523 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.08 -29.91 28.41 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.837 -1.165 . . . . 0.0 110.011 169.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -55.03 -34.22 63.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.66 -0.65 . . . . 0.0 111.135 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -11.62 10.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.054 1.342 . . . . 0.0 114.241 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -82.92 -43.02 16.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.311 1.445 . . . . 0.0 110.826 168.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.98 -36.74 68.2 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.183 -0.948 . . . . 0.0 111.087 173.291 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -66.42 -12.7 15.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.726 1.611 . . . . 0.0 112.699 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.94 -47.96 8.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.621 -1.299 . . . . 0.0 112.035 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.68 -18.1 15.9 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.806 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.76 -39.29 93.37 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.976 1.388 . . . . 0.0 111.227 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.09 60.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.215 1.406 . . . . 0.0 113.246 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.52 -62.65 1.5 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.547 1.139 . . . . 0.0 111.086 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -87.83 -25.12 23.48 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.119 0.968 . . . . 0.0 113.609 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t60 57.17 88.51 0.05 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.772 2.029 . . . . 0.0 114.195 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? 58.78 61.74 2.1 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.928 2.091 . . . . 0.0 111.847 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -152.38 86.84 1.29 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 123.06 1.409 . . . . 0.0 109.977 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -64.69 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.723 1.209 . . . . 0.0 110.802 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -57.66 -5.31 0.36 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.684 1.993 . . . . 0.0 114.055 168.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.66 -33.33 5.55 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.837 1.198 . . . . 0.0 112.357 169.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.27 -34.23 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.671 0.789 . . . . 0.0 112.79 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -27.3 65.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -70.77 -33.39 70.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.052 0.941 . . . . 0.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -77.27 -41.91 39.08 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 111.147 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.2 -31.46 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.063 169.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.11 101.32 2.66 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 127.129 2.299 . . . . 0.0 114.857 169.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.345 1.9 t 52.35 27.17 4.6 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 128.591 2.756 . . . . 0.0 116.736 170.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -77.64 171.2 15.29 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.993 -1.067 . . . . 0.0 110.116 170.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.8 172.92 12.32 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.852 0.751 . . . . 0.0 109.28 166.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -86.4 -15.24 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 O-C-N 120.376 -1.452 . . . . 0.0 112.71 172.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.05 -47.89 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.457 -1.402 . . . . 0.0 113.518 -170.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.5 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.98 -34.66 78.24 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.354 -0.841 . . . . 0.0 111.908 175.309 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.7 -37.95 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.778 0.831 . . . . 0.0 110.736 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 tpt85 -60.61 -44.57 96.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -174.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -66.91 -48.63 68.11 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.177 0.923 . . . . 0.0 111.263 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -69.37 -34.32 74.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -55.53 -57.25 12.69 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.138 0.881 . . . . 0.0 110.558 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -53.16 -20.12 3.59 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 119.909 -1.744 . . . . 0.0 115.122 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -69.41 -33.92 73.72 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.331 -1.319 . . . . 0.0 112.929 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -44.59 94.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.933 1.697 . . . . 0.0 109.863 169.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -63.73 -50.22 69.99 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.682 1.193 . . . . 0.0 112.176 -175.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.8 -32.48 74.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.778 0.717 . . . . 0.0 112.285 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.72 -18.0 65.01 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.6 mt -65.23 -30.72 71.63 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 52.56 50.87 17.27 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.769 1.627 . . . . 0.0 114.06 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -74.18 161.15 30.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.932 1.293 . . . . 0.0 111.653 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.8 m -65.63 125.4 25.14 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.983 -1.073 . . . . 0.0 110.746 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 C-N-CA 126.679 1.992 . . . . 0.0 115.418 -174.453 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.743 0 CA-C-O 119.702 -0.499 . . . . 0.0 112.925 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -80.02 169.6 17.57 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.665 3.577 . . . . 0.0 111.404 169.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.1 mt -53.49 148.28 9.49 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.412 1.485 . . . . 0.0 114.638 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.81 15.99 69.66 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 116.334 1.294 . . . . 0.0 116.334 174.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -89.33 52.82 2.46 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.773 1.629 . . . . 0.0 113.312 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -68.47 -34.6 76.22 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -81.42 -2.51 49.74 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 56.53 38.24 29.47 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.626 1.97 . . . . 0.0 114.33 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.93 17.6 0.42 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.064 1.346 . . . . 0.0 113.113 169.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -155.37 157.12 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 129.861 3.264 . . . . 0.0 107.052 175.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -62.51 142.42 57.95 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.86 157.36 47.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.249 1.42 . . . . 0.0 111.094 -178.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -63.21 -26.17 68.67 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.23 -29.21 48.09 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.549 -0.719 . . . . 0.0 112.264 169.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -36.55 28.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.9 0.88 . . . . 0.0 110.848 -177.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -39.35 69.92 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.762 0.825 . . . . 0.0 111.239 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -14.87 9.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.405 1.482 . . . . 0.0 114.327 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -92.19 -41.93 10.17 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 125.814 1.646 . . . . 0.0 113.366 172.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.41 -40.53 82.7 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.959 -1.088 . . . . 0.0 111.649 178.539 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.89 -14.91 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.01 -44.23 16.93 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.96 -19.5 22.72 Favored Glycine 0 CA--C 1.543 1.816 0 O-C-N 121.832 -0.543 . . . . 0.0 113.35 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.76 -23.73 64.35 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.297 -1.12 . . . . 0.0 113.103 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.12 -34.69 13.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.065 1.746 . . . . 0.0 113.439 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.83 -59.72 2.76 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.944 -1.097 . . . . 0.0 110.063 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.08 -40.98 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.566 1.546 . . . . 0.0 111.795 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.5 t60 64.07 95.69 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.336 1.854 . . . . 0.0 114.592 -171.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.01 64.13 1.47 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.798 2.439 . . . . 0.0 112.354 173.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -159.81 86.54 0.78 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.586 1.184 . . . . 0.0 110.484 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.47 -24.67 63.82 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.706 -1.246 . . . . 0.0 111.284 -171.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -61.35 0.55 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.529 2.332 . . . . 0.0 114.504 171.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -120.83 -35.99 3.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 111.893 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.51 -36.86 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.934 0.894 . . . . 0.0 113.298 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -25.56 65.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -77.41 -28.89 52.8 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -74.61 -43.0 57.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.514 0.673 . . . . 0.0 111.353 -174.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.58 -45.5 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.302 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.72 85.53 0.07 OUTLIER Glycine 0 N--CA 1.475 1.236 0 CA-C-N 118.839 0.745 . . . . 0.0 114.497 170.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 p 52.43 27.26 4.78 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 127.251 2.22 . . . . 0.0 115.493 173.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -72.49 169.87 15.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.839 1.256 . . . . 0.0 112.534 -174.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -78.36 167.44 21.34 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.026 -1.046 . . . . 0.0 108.762 163.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.7 t -90.52 -19.54 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 O-C-N 120.092 -1.63 . . . . 0.0 113.106 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.7 t -52.87 -55.07 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.568 1.147 . . . . 0.0 114.032 -171.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.609 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.94 -35.21 80.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.782 2.033 . . . . 0.0 112.388 176.435 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mt -70.49 -35.41 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.442 -0.786 . . . . 0.0 111.013 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -65.31 -43.44 91.03 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.515 0.726 . . . . 0.0 112.501 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.5 p -70.09 -38.56 75.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.691 0.796 . . . . 0.0 112.479 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -33.29 64.12 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.94 -53.07 57.82 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 119.288 0.949 . . . . 0.0 111.086 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -45.76 -27.91 0.93 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.64 -36.81 84.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.688 1.131 . . . . 0.0 113.002 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -46.13 83.07 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.268 1.395 . . . . 0.0 109.485 171.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -69.2 -44.71 71.56 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.6 1.56 . . . . 0.0 112.158 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.1 mt -65.41 -41.8 93.2 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.018 0.927 . . . . 0.0 111.542 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -70.36 -33.62 71.66 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.3 tp -59.35 124.54 20.35 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.818 1.247 . . . . 0.0 112.196 -174.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.32 144.22 54.32 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.511 -0.743 . . . . 0.0 112.473 172.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -83.35 142.03 31.35 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.674 1.19 . . . . 0.0 113.554 -174.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.4 m 55.59 32.86 20.02 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.724 1.609 . . . . 0.0 113.205 171.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.311 1.445 . . . . 0.0 113.051 -169.623 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.102 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -60.83 168.78 6.58 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 125.23 3.953 . . . . 0.0 115.76 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -76.13 171.06 15.12 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.116 1.767 . . . . 0.0 112.549 169.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.62 -177.74 28.22 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 167.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -56.36 123.25 14.03 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.593 -0.945 . . . . 0.0 113.419 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -67.05 -17.09 64.74 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -74.44 -7.93 54.62 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.98 1.312 . . . . 0.0 114.468 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -100.97 160.6 14.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.938 1.695 . . . . 0.0 112.91 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -137.16 -18.12 1.33 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.177 1.391 . . . . 0.0 114.296 -172.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -84.98 141.98 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.615 1.166 . . . . 0.0 110.578 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -58.12 146.48 33.14 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t -154.66 156.31 36.22 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 127.13 2.172 . . . . 0.0 108.444 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.36 -37.6 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.335 1.88 . . . . 0.0 114.759 -169.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -18.29 64.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.606 -1.308 . . . . 0.0 113.303 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -89.28 -47.0 8.35 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.216 -0.927 . . . . 0.0 110.633 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -35.27 72.82 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.95 1.3 . . . . 0.0 111.362 -176.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.03 34.02 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 117.88 -1.057 . . . . 0.0 113.8 175.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.13 -32.98 29.87 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.358 1.436 . . . . 0.0 113.509 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.51 -39.73 77.17 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.562 -0.711 . . . . 0.0 110.235 169.24 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.22 -17.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.778 1.231 . . . . 0.0 112.668 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -84.64 -45.65 12.28 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.287 1.035 . . . . 0.0 112.327 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 -16.85 29.66 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 113.608 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.99 -41.53 96.67 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.495 1.147 . . . . 0.0 111.324 170.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.0 61.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.327 1.451 . . . . 0.0 113.032 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.52 -66.11 0.91 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.072 0.851 . . . . 0.0 110.708 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.24 -19.39 36.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.88 -170.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 t60 59.54 80.31 0.2 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.295 1.438 . . . . 0.0 113.782 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? 61.38 60.42 1.71 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.013 2.125 . . . . 0.0 111.761 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -151.86 92.2 1.71 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.226 1.41 . . . . 0.0 110.077 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -68.39 -28.13 66.83 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.049 -1.032 . . . . 0.0 111.146 -170.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -62.26 4.06 0.15 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.716 2.406 . . . . 0.0 114.586 171.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -123.03 -34.34 3.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.767 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mt -52.54 -35.7 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.31 -0.869 . . . . 0.0 112.988 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -30.15 36.2 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -88.47 -14.61 37.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.913 1.285 . . . . 0.0 113.678 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -79.56 -46.09 17.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.757 0.823 . . . . 0.0 111.218 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.27 -44.85 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 124.262 1.025 . . . . 0.0 110.711 170.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.71 106.95 2.08 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.034 1.302 . . . . 0.0 115.433 169.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.262 71.5 p 58.64 24.01 11.61 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 127.714 2.405 . . . . 0.0 116.032 168.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -85.63 162.96 18.58 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.668 1.187 . . . . 0.0 113.44 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -77.56 160.57 28.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.508 1.123 . . . . 0.0 109.564 165.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.5 t -94.41 -13.8 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 O-C-N 120.684 -1.26 . . . . 0.0 113.718 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.81 -57.54 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 124.781 1.232 . . . . 0.0 113.513 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.592 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.44 -33.6 74.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.078 1.751 . . . . 0.0 112.286 175.623 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.42 -41.23 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 119.2 0.909 . . . . 0.0 111.236 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -63.59 -44.69 93.26 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.663 1.185 . . . . 0.0 110.391 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.5 m -67.11 -37.82 84.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.863 -1.517 . . . . 0.0 112.491 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.98 -31.58 50.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 171.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -56.42 -54.47 45.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.519 1.054 . . . . 0.0 109.989 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.93 -11.2 0.59 Allowed 'General case' 0 CA--C 1.559 1.307 0 O-C-N 119.53 -1.981 . . . . 0.0 116.02 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -80.27 -30.64 38.4 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.124 1.369 . . . . 0.0 113.429 168.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -39.69 80.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.759 1.618 . . . . 0.0 109.942 169.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.33 -44.37 88.01 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.918 0.887 . . . . 0.0 112.845 -172.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.51 1.71 7.61 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.049 1.499 . . . . 0.0 115.049 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -102.95 -43.98 5.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.576 1.551 . . . . 0.0 110.728 168.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.53 -44.05 65.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.704 1.202 . . . . 0.0 113.757 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -97.15 159.99 14.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.4 1.48 . . . . 0.0 110.655 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.91 -13.28 62.34 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 t -63.71 153.93 34.73 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.363 0 C-N-CA 127.039 2.136 . . . . 0.0 112.792 178.496 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.991 0 CA-C-O 119.369 -0.684 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -74.9 152.45 41.32 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.279 3.319 . . . . 0.0 113.694 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.6 mt -115.02 10.36 16.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.214 1.406 . . . . 0.0 114.103 -173.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 -7.57 51.32 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 -174.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -54.14 -32.37 55.02 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.459 1.629 . . . . 0.0 114.099 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -70.39 -2.38 13.54 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -133.45 25.8 4.11 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.633 1.573 . . . . 0.0 113.403 -175.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.89 154.19 7.59 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.776 2.03 . . . . 0.0 115.663 -174.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -91.23 24.27 2.97 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.127 2.171 . . . . 0.0 113.652 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.45 156.95 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.434 1.494 . . . . 0.0 111.439 -170.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -74.55 139.27 43.64 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 175.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -146.8 162.77 37.91 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.214 2.206 . . . . 0.0 109.557 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.98 -31.35 72.21 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.111 1.323 . . . . 0.0 113.325 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.58 -18.6 61.05 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.996 -1.065 . . . . 0.0 113.349 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.24 -38.61 13.31 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -36.52 80.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.967 -1.083 . . . . 0.0 111.706 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.3 -9.4 2.23 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -95.19 -44.95 7.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.664 1.585 . . . . 0.0 112.251 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.52 -40.06 71.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.546 0.738 . . . . 0.0 111.927 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.53 -18.54 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.304 1.441 . . . . 0.0 112.557 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.24 -46.71 10.78 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.576 1.151 . . . . 0.0 111.67 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.54 -20.17 37.22 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.897 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -36.71 79.88 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.183 0.991 . . . . 0.0 111.804 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.54 44.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.761 1.224 . . . . 0.0 113.254 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.52 -57.27 3.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.933 1.293 . . . . 0.0 111.677 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.41 -22.99 21.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 52.64 89.0 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.659 1.984 . . . . 0.0 113.301 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.0 tptp 56.66 66.32 1.21 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.43 1.892 . . . . 0.0 110.524 171.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -161.33 83.98 0.64 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.055 1.742 . . . . 0.0 110.075 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -64.62 -26.68 68.5 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.167 -1.583 . . . . 0.0 112.304 -172.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 14.1 mmmm -59.48 -2.26 0.31 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 128.761 2.824 . . . . 0.0 114.263 173.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -118.61 -28.48 5.65 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.272 1.029 . . . . 0.0 112.654 170.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.16 -34.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.264 -0.898 . . . . 0.0 112.217 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.31 -23.08 46.33 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 175.548 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.71 -29.91 51.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.635 1.174 . . . . 0.0 113.681 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -82.4 -40.05 21.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.032 0.92 . . . . 0.0 112.117 -169.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.66 -34.41 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.634 169.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.95 17.78 49.98 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.18 0.895 . . . . 0.0 114.816 -172.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -69.52 -27.58 65.3 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 118.725 1.263 . . . . 0.0 112.871 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt 65.51 -38.78 0.27 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.246 2.618 . . . . 0.0 115.624 -172.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.3 p -91.08 152.47 20.61 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.343 2.257 . . . . 0.0 113.118 170.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.71 -16.02 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 126.621 1.968 . . . . 0.0 113.558 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.37 -46.63 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-N 119.813 1.188 . . . . 0.0 113.293 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.99 -35.27 69.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.614 1.966 . . . . 0.0 114.096 175.661 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.93 -37.27 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 120.873 -1.142 . . . . 0.0 111.688 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -56.95 -47.7 80.06 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.348 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 p -74.78 -36.3 62.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.485 1.514 . . . . 0.0 113.5 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -32.24 61.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.808 0.731 . . . . 0.0 112.748 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.36 -52.19 60.03 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.64 0.776 . . . . 0.0 110.577 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -44.38 -30.57 0.86 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -65.81 -30.06 70.63 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.462 -1.399 . . . . 0.0 114.55 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -43.2 94.4 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 121.205 1.821 . . . . 0.0 110.44 169.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -69.21 -39.46 78.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.794 2.038 . . . . 0.0 112.949 -171.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.42 -28.82 69.51 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.637 1.175 . . . . 0.0 112.788 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.53 -27.53 51.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.89 -34.15 73.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.333 0.969 . . . . 0.0 112.522 171.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.89 163.55 14.17 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.151 0.98 . . . . 0.0 112.52 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -59.47 160.33 7.05 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.031 0.932 . . . . 0.0 112.468 169.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.7 p -71.74 -25.35 62.02 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.266 1.926 0 C-N-CA 127.264 2.226 . . . . 0.0 115.199 172.779 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 CA-C-O 119.311 -0.716 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -66.03 154.21 74.98 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 124.398 3.399 . . . . 0.0 115.504 -174.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.28 136.38 58.02 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.317 1.047 . . . . 0.0 111.744 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.52 -150.25 44.77 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.152 0.882 . . . . 0.0 113.452 -174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -148.8 140.95 23.96 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.237 1.015 . . . . 0.0 112.502 176.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -78.75 -9.48 59.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.883 1.273 . . . . 0.0 113.629 169.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -124.93 84.29 2.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.213 1.405 . . . . 0.0 108.954 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -118.59 151.46 37.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.107 1.363 . . . . 0.0 112.276 -171.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -58.03 147.23 30.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.231 1.412 . . . . 0.0 112.778 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.8 p -64.63 -14.87 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.822 1.649 . . . . 0.0 115.435 -169.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -69.14 142.57 54.34 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -172.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -131.93 161.41 33.13 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.06 1.744 . . . . 0.0 109.508 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.21 -37.39 87.05 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.671 -1.268 . . . . 0.0 110.639 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -29.45 68.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.679 1.191 . . . . 0.0 113.587 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.71 -28.0 30.82 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.998 -1.064 . . . . 0.0 111.124 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -40.61 71.04 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.389 -0.82 . . . . 0.0 111.483 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -9.01 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.435 1.894 . . . . 0.0 115.049 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -95.18 -44.43 7.63 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.988 1.315 . . . . 0.0 112.138 171.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.94 -40.23 79.99 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.132 -0.98 . . . . 0.0 111.203 -179.279 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.23 -16.34 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.499 1.119 . . . . 0.0 113.608 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.77 -46.71 12.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.706 1.203 . . . . 0.0 111.784 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -19.71 30.28 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.096 -0.835 . . . . 0.0 113.333 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.49 -35.58 79.79 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.912 1.356 . . . . 0.0 111.804 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.34 -28.41 47.24 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.36 1.464 . . . . 0.0 113.493 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.39 -51.29 6.02 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.159 1.384 . . . . 0.0 112.326 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -99.41 -16.17 18.49 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.5 t60 53.9 79.0 0.14 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.629 1.572 . . . . 0.0 113.764 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? 58.2 73.16 0.48 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.981 2.112 . . . . 0.0 110.714 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -160.09 83.81 0.72 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 123.071 1.415 . . . . 0.0 110.154 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -66.7 -29.93 70.04 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.347 -1.471 . . . . 0.0 111.164 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.2 6.37 0.42 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.66 1.984 . . . . 0.0 113.768 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -118.35 -38.57 3.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.547 1.539 . . . . 0.0 111.173 166.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.74 -36.14 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.228 0.922 . . . . 0.0 112.684 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -33.54 47.4 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.83 -27.69 57.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.848 1.259 . . . . 0.0 111.815 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.87 -46.83 28.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.829 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.45 -51.54 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 117.38 -1.295 . . . . 0.0 112.884 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.38 21.36 0.05 OUTLIER Glycine 0 N--CA 1.482 1.708 0 N-CA-C 120.369 2.907 . . . . 0.0 120.369 -168.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.3 p 56.11 31.08 17.52 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 120.216 2.008 . . . . 0.0 113.746 -173.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.44 -178.32 7.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.79 2.436 . . . . 0.0 114.485 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 p -72.33 169.68 15.77 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.198 1.799 . . . . 0.0 110.466 165.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t -103.51 -21.94 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 120.895 -1.128 . . . . 0.0 113.909 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -50.15 -46.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.62 1.168 . . . . 0.0 113.525 -172.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.537 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -63.33 -35.86 81.79 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.93 1.292 . . . . 0.0 113.233 175.217 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mt -71.2 -34.4 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.273 -0.892 . . . . 0.0 110.52 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -61.86 -43.81 98.1 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.077 0.853 . . . . 0.0 113.13 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -77.61 -34.53 53.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.589 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -72.62 -32.27 65.79 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.892 1.223 . . . . 0.0 113.511 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -50.12 -51.51 42.59 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.811 0.844 . . . . 0.0 110.652 173.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 -26.99 1.73 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.78 -35.06 73.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.118 -1.614 . . . . 0.0 113.22 170.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -38.21 77.76 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.741 1.155 . . . . 0.0 110.515 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -75.15 -33.42 61.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.678 1.191 . . . . 0.0 112.579 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.31 -46.57 82.99 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.295 0.638 . . . . 0.0 111.95 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.93 -26.12 53.68 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.73 131.54 50.62 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.847 1.259 . . . . 0.0 110.057 172.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -58.72 133.76 56.22 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.998 0.519 . . . . 0.0 111.033 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.22 128.78 37.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.996 0.918 . . . . 0.0 112.036 -172.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -153.77 132.97 12.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.032 0.933 . . . . 0.0 111.146 169.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.436 -1.269 . . . . 0.0 112.157 176.279 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.837 0 CA-C-O 118.508 -1.162 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -76.71 -4.98 15.6 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 123.497 2.798 . . . . 0.0 115.473 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 65.43 150.21 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 128.19 2.596 . . . . 0.0 113.998 -168.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.67 -172.79 31.51 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.389 0.995 . . . . 0.0 114.797 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -73.46 139.64 45.94 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.827 -0.808 . . . . 0.0 112.468 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -78.0 158.07 29.41 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.435 1.094 . . . . 0.0 110.099 168.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -74.85 35.63 0.1 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.508 1.923 . . . . 0.0 114.736 -173.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -124.57 142.12 51.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.675 2.79 . . . . 0.0 109.474 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -85.99 -20.01 29.52 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.96 135.52 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.183 1.393 . . . . 0.0 111.95 -176.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -75.7 145.29 41.03 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -140.01 166.96 23.23 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.975 1.71 . . . . 0.0 109.111 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -69.78 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.933 -1.104 . . . . 0.0 113.211 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.51 -23.91 50.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.943 0.897 . . . . 0.0 113.092 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -87.37 -40.96 13.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.259 1.024 . . . . 0.0 110.262 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -36.73 74.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.299 -0.876 . . . . 0.0 111.994 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.43 -14.89 2.17 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.31 1.444 . . . . 0.0 114.33 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.68 -36.86 10.12 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.152 1.342 . . . . 0.0 113.082 172.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -39.14 74.45 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.55 -1.344 . . . . 0.0 112.164 174.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.45 -7.96 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.12 -49.26 7.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.876 1.271 . . . . 0.0 112.382 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.96 31.52 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-N 118.095 0.407 . . . . 0.0 113.32 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.13 -29.21 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.958 0.903 . . . . 0.0 112.744 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.84 -9.74 28.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.692 1.997 . . . . 0.0 113.942 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.95 -65.54 0.96 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -82.73 -26.37 32.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.641 1.176 . . . . 0.0 113.413 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 56.23 92.21 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.154 1.781 . . . . 0.0 113.794 -173.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? 57.82 62.7 2.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.705 2.002 . . . . 0.0 112.708 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -156.06 80.55 0.99 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.944 1.297 . . . . 0.0 109.708 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -64.29 -28.39 69.68 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.25 -1.531 . . . . 0.0 111.567 -171.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 30.1 mmmt -56.69 -5.32 0.21 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.325 2.65 . . . . 0.0 114.604 170.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -117.26 -28.25 6.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.752 1.221 . . . . 0.0 112.667 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mt -59.29 -31.96 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.164 0.986 . . . . 0.0 112.31 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.2 -29.78 47.32 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 172.261 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.77 -24.33 52.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -78.72 -47.29 17.17 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.088 -1.007 . . . . 0.0 110.776 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.97 -38.53 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 111.772 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.23 101.01 2.4 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.72 1.152 . . . . 0.0 113.422 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m 50.8 59.27 4.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.833 2.453 . . . . 0.0 113.489 171.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -112.2 155.11 24.52 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.103 0.961 . . . . 0.0 113.191 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.09 154.87 40.77 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.347 1.059 . . . . 0.0 108.869 164.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -87.25 -21.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 120.013 -1.679 . . . . 0.0 113.41 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -49.27 -53.06 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-N 120.798 1.636 . . . . 0.0 115.041 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.585 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.53 -34.45 77.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.804 1.241 . . . . 0.0 112.053 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.09 -40.32 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.377 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.6 ttp85 -66.97 -36.64 82.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.701 1.201 . . . . 0.0 112.248 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -47.29 73.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 113.103 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -25.49 39.12 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -176.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.43 31.2 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -50.86 -24.31 3.46 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -66.26 -36.51 83.17 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.645 -1.284 . . . . 0.0 112.549 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -38.46 72.79 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.866 1.666 . . . . 0.0 112.048 172.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -69.5 -47.82 62.59 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.567 1.547 . . . . 0.0 111.29 -176.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.03 -40.69 98.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.748 0.819 . . . . 0.0 112.563 175.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -77.33 -14.83 59.65 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.53 1.532 . . . . 0.0 114.371 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.31 112.62 2.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.11 1.364 . . . . 0.0 113.427 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -81.52 121.05 25.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.249 1.02 . . . . 0.0 109.451 168.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -142.7 157.22 44.89 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.147 1.779 . . . . 0.0 113.017 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.7 t -63.31 155.4 28.74 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.303 1.841 . . . . 0.0 114.196 -172.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.748 2.819 . . . . 0.0 115.826 -176.841 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.636 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.87 170.38 6.06 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 125.294 3.996 . . . . 0.0 115.121 -174.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.71 122.57 11.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.351 1.06 . . . . 0.0 112.166 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.76 132.16 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.338 1.446 . . . . 0.0 111.579 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -76.81 137.89 39.51 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.2 0.6 . . . . 0.0 112.127 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.05 -37.34 76.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.771 1.628 . . . . 0.0 111.941 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -145.2 -62.07 0.35 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.636 1.974 . . . . 0.0 111.694 168.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -144.59 -29.22 0.47 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.253 1.421 . . . . 0.0 114.062 -175.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.24 150.38 21.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.236 1.014 . . . . 0.0 112.627 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.8 m -83.95 3.13 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -71.7 160.12 33.2 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.235 1.414 . . . . 0.0 113.817 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -139.97 160.58 39.59 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.223 1.809 . . . . 0.0 109.56 172.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.46 -22.76 64.56 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.972 -1.08 . . . . 0.0 113.296 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.54 -18.58 40.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 169.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -41.51 11.31 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.07 0.948 . . . . 0.0 109.235 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.07 81.95 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.286 -0.884 . . . . 0.0 111.434 176.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.35 -8.89 1.92 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.776 1.631 . . . . 0.0 114.888 172.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -100.4 -36.65 9.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.9 1.68 . . . . 0.0 112.578 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -39.93 69.05 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.363 -0.836 . . . . 0.0 110.664 169.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.82 -16.28 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 126.391 1.876 . . . . 0.0 114.098 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.65 -51.39 6.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.954 1.302 . . . . 0.0 111.388 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.64 -15.13 32.0 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.135 -0.814 . . . . 0.0 113.356 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.42 -45.61 88.11 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.579 1.19 . . . . 0.0 110.703 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.73 63.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.01 1.724 . . . . 0.0 113.432 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -79.91 -58.68 3.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.912 0.885 . . . . 0.0 111.004 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -88.71 -14.19 37.86 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 t60 63.03 74.1 0.44 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.288 1.035 . . . . 0.0 111.906 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 52' ' ' TYR . 30.7 mmtp 55.11 63.51 2.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.474 2.31 . . . . 0.0 111.977 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -146.77 84.4 1.61 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.859 1.264 . . . . 0.0 108.328 -168.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -63.77 -32.69 74.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.129 1.372 . . . . 0.0 111.044 -169.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -58.24 -3.33 0.25 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.301 2.241 . . . . 0.0 113.807 170.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -116.75 -36.4 3.9 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.336 1.454 . . . . 0.0 112.116 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.2 mt -53.48 -38.19 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.973 0.909 . . . . 0.0 113.053 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.63 -32.72 52.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.88 -20.01 56.77 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.065 0.946 . . . . 0.0 113.265 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -78.63 -41.78 30.6 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.556 0.742 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.77 -40.76 61.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.47 15.41 0.02 OUTLIER Glycine 0 CA--C 1.541 1.719 0 N-CA-C 118.564 2.186 . . . . 0.0 118.564 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.279 21.6 p 63.66 27.59 14.86 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 119.86 1.83 . . . . 0.0 114.139 -170.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -68.39 -176.41 0.76 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 129.107 2.963 . . . . 0.0 113.543 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 p -72.37 170.4 14.28 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 121.089 -1.007 . . . . 0.0 111.916 168.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -99.08 -19.19 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 125.078 1.351 . . . . 0.0 112.913 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -48.52 -47.13 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 125.613 1.565 . . . . 0.0 113.7 -174.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.623 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.5 -38.63 87.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.085 1.754 . . . . 0.0 112.667 176.28 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.3 mt -69.1 -34.64 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 121.44 -0.787 . . . . 0.0 110.728 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -59.95 -42.7 94.6 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 p -80.4 -43.84 20.36 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 113.217 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -28.58 65.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.405 1.457 . . . . 0.0 112.757 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.27 78.48 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.022 -1.049 . . . . 0.0 110.207 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.0 -20.0 3.1 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 119.998 -1.688 . . . . 0.0 114.9 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -73.68 -34.67 64.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.733 1.213 . . . . 0.0 113.752 169.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -54.39 -42.22 70.13 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.805 1.639 . . . . 0.0 110.521 171.57 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -69.45 -44.47 71.19 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.95 -25.88 63.85 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.551 0.614 . . . . 0.0 112.531 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -65.99 -28.33 68.81 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.089 0.955 . . . . 0.0 112.801 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mp -88.56 -14.46 37.59 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.117 1.767 . . . . 0.0 113.319 171.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -73.45 -21.76 60.37 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.654 1.116 . . . . 0.0 112.618 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.5 151.27 37.91 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.703 1.201 . . . . 0.0 111.979 169.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.3 p -62.99 133.88 55.3 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.521 0.728 . . . . 0.0 111.748 170.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 124.902 1.281 . . . . 0.0 112.007 177.658 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -62.89 131.33 32.53 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.671 2.248 . . . . 0.0 110.418 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.04 -25.21 66.15 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -169.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.02 34.9 91.17 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.225 0.917 . . . . 0.0 114.943 171.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -70.18 137.73 51.21 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.29 1.045 . . . . 0.0 111.566 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -163.86 148.84 10.58 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.15 1.78 . . . . 0.0 110.36 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -57.36 127.63 32.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.017 0.927 . . . . 0.0 110.855 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -135.63 3.02 2.99 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.354 1.862 . . . . 0.0 113.997 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -78.04 176.91 8.73 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.518 2.327 . . . . 0.0 114.193 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -47.1 149.31 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 127.972 2.509 . . . . 0.0 114.836 175.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -49.07 148.2 2.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.01 1.724 . . . . 0.0 114.755 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -119.44 157.9 27.31 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.339 1.056 . . . . 0.0 111.287 168.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -66.84 0.8 2.19 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.56 -16.25 5.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 113.229 169.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.76 -27.3 61.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.432 -1.418 . . . . 0.0 109.931 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -53.14 -33.22 51.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.324 1.049 . . . . 0.0 111.546 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -12.56 20.21 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 113.743 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -85.74 -39.15 17.49 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.956 1.702 . . . . 0.0 111.936 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.32 -40.0 70.64 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 121.083 -1.011 . . . . 0.0 110.677 169.634 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.45 -20.82 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.017 1.727 . . . . 0.0 112.751 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -82.97 -42.43 17.6 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.904 -1.122 . . . . 0.0 112.101 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.47 -20.78 52.55 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.024 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.16 -18.51 64.63 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.759 1.28 . . . . 0.0 112.689 173.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.9 -25.43 16.57 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.267 1.427 . . . . 0.0 113.571 170.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt -86.28 -51.05 6.5 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.992 1.317 . . . . 0.0 113.105 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -100.77 -4.83 27.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.647 1.579 . . . . 0.0 113.236 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.0 t60 68.92 -62.62 0.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.519 2.727 . . . . 0.0 115.221 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 70.81 0.3 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.562 1.545 . . . . 0.0 110.46 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -157.76 99.96 1.73 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.008 1.385 . . . . 0.0 110.537 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -64.37 -22.85 67.09 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.691 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -72.36 6.52 2.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.78 1.632 . . . . 0.0 113.288 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -124.45 -29.02 3.55 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.574 1.55 . . . . 0.0 112.318 170.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -56.12 -28.67 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.477 0.711 . . . . 0.0 112.61 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -34.56 60.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.27 -27.91 60.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.461 1.105 . . . . 0.0 113.717 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -78.56 -44.94 22.95 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.355 -0.84 . . . . 0.0 111.183 -170.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.92 -50.97 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.578 1.551 . . . . 0.0 110.361 169.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.51 122.81 3.9 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.603 2.049 . . . . 0.0 114.299 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m 59.27 46.41 12.85 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.882 2.073 . . . . 0.0 114.15 168.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -101.16 169.26 9.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.884 1.273 . . . . 0.0 113.657 173.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 p -105.19 5.75 32.45 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 126.775 2.03 . . . . 0.0 113.574 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.353 0.8 OUTLIER 61.65 -19.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 129.22 3.008 . . . . 0.0 116.01 -167.178 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.9 -40.0 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.927 1.694 . . . . 0.0 112.165 -175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.29 62.0 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.65 1.18 . . . . 0.0 112.473 174.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -64.55 -39.42 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.008 -1.057 . . . . 0.0 110.857 173.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -57.41 -46.63 83.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.432 1.093 . . . . 0.0 112.164 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.7 p -74.63 -40.71 61.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.643 1.177 . . . . 0.0 112.811 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -67.24 -35.48 79.65 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.967 173.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.32 -56.65 16.33 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.365 1.066 . . . . 0.0 110.813 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -43.74 -30.34 0.63 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.57 -37.12 86.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -43.85 78.87 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.365 1.439 . . . . 0.0 109.987 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.98 -33.34 71.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.227 1.011 . . . . 0.0 113.08 -175.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.78 -42.54 85.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.73 -0.606 . . . . 0.0 111.597 170.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -75.27 -25.69 58.2 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -59.5 -44.52 93.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.228 1.811 . . . . 0.0 112.482 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.17 123.39 18.04 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.547 1.139 . . . . 0.0 111.555 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -86.09 40.73 0.88 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.574 1.95 . . . . 0.0 112.114 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.1 m 55.09 64.1 1.9 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.009 2.124 . . . . 0.0 111.4 -169.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.449 0 C-N-CA 126.827 2.051 . . . . 0.0 111.708 -178.538 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.885 0 CA-C-O 118.391 -1.227 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -68.13 152.12 76.59 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.076 3.184 . . . . 0.0 112.411 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.2 148.8 45.21 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.136 0.974 . . . . 0.0 112.161 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -34.89 91.12 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.18 -0.95 . . . . 0.0 113.37 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -75.57 6.5 4.68 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.53 135.89 57.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.832 1.253 . . . . 0.0 112.097 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -159.63 -179.66 8.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.582 2.353 . . . . 0.0 110.94 172.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -136.15 169.49 17.54 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.974 1.71 . . . . 0.0 112.898 167.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.39 -0.58 57.59 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.495 2.318 . . . . 0.0 114.44 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.6 m -137.3 152.52 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 127.33 2.252 . . . . 0.0 109.282 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -68.95 143.49 54.41 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.885 1.221 . . . . 0.0 113.036 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.05 160.62 40.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.702 1.601 . . . . 0.0 109.827 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -66.22 -24.32 66.58 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.88 64.73 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 112.238 169.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.92 -34.72 24.44 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.166 0.987 . . . . 0.0 110.902 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -36.11 68.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 111.652 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -16.95 3.62 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.451 1.5 . . . . 0.0 114.712 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -92.52 -39.46 11.36 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.796 1.18 . . . . 0.0 113.266 172.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -56.38 -39.99 73.86 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.256 -0.903 . . . . 0.0 111.843 176.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -65.52 -18.41 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -83.08 -43.7 15.99 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 123.898 0.879 . . . . 0.0 111.955 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.91 -23.28 14.86 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.69 -0.506 . . . . 0.0 113.238 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.78 -35.58 80.32 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.423 1.111 . . . . 0.0 111.665 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.61 -24.32 42.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.387 1.475 . . . . 0.0 114.506 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 mt -87.66 -42.61 12.54 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.461 1.104 . . . . 0.0 112.743 -176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.59 -16.03 12.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.814 1.245 . . . . 0.0 114.027 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 t60 56.15 67.4 1.01 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.863 1.265 . . . . 0.0 114.404 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.95 72.9 0.35 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.903 2.081 . . . . 0.0 112.235 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -159.6 86.27 0.79 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.671 1.588 . . . . 0.0 110.093 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -66.98 -27.38 67.39 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.028 -1.67 . . . . 0.0 111.498 -171.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 32.0 mmtp -60.16 3.42 0.07 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.531 2.332 . . . . 0.0 114.279 169.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -123.1 -28.8 3.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.477 1.511 . . . . 0.0 111.717 169.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.66 -34.84 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.175 -0.953 . . . . 0.0 112.786 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.57 -32.88 52.69 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 173.243 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.1 -32.9 72.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.841 0.857 . . . . 0.0 113.259 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -80.13 -42.64 23.12 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 122.507 1.146 . . . . 0.0 111.09 -170.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.24 -39.39 64.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.765 170.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.64 75.01 0.06 OUTLIER Glycine 0 N--CA 1.482 1.737 0 N-CA-C 117.33 1.692 . . . . 0.0 117.33 168.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m 57.17 24.67 10.03 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 127.068 2.147 . . . . 0.0 114.524 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -68.29 170.95 7.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.506 1.923 . . . . 0.0 113.718 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 p -79.13 162.08 26.04 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 164.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t -91.02 -18.49 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 120.983 -1.073 . . . . 0.0 113.794 -175.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.17 -58.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 119.679 1.127 . . . . 0.0 113.877 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.613 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.26 -34.02 77.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.062 2.145 . . . . 0.0 112.624 175.388 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.33 -36.17 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.408 -0.807 . . . . 0.0 110.692 175.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -61.28 -46.37 90.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.182 0.901 . . . . 0.0 111.783 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.1 m -67.36 -32.56 73.57 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -39.84 41.43 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.843 0.747 . . . . 0.0 112.707 171.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.65 -57.59 8.74 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.099 0.96 . . . . 0.0 111.008 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -45.84 -23.85 0.32 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -69.19 -33.27 73.09 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.828 1.195 . . . . 0.0 113.716 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -37.92 68.42 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.226 1.375 . . . . 0.0 111.254 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -66.61 -27.71 67.92 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.585 1.554 . . . . 0.0 112.341 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.1 -23.42 54.94 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.257 1.023 . . . . 0.0 112.779 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -85.71 -8.77 57.97 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.562 1.945 . . . . 0.0 114.569 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.9 mt -57.57 151.91 16.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.33 1.452 . . . . 0.0 113.667 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.7 t30 46.01 52.73 9.79 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.094 1.757 . . . . 0.0 114.054 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt 60.01 46.39 10.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.561 1.545 . . . . 0.0 112.902 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.1 m 55.21 49.32 17.5 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.824 1.649 . . . . 0.0 111.437 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.503 1.521 . . . . 0.0 114.501 -174.633 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.124 0 CA-C-O 117.858 -1.523 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.78 146.31 95.91 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.528 2.819 . . . . 0.0 115.752 -171.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.9 141.58 58.19 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.946 0.898 . . . . 0.0 111.371 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.82 12.37 80.93 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.419 1.009 . . . . 0.0 115.344 -178.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -72.47 -8.92 57.59 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -170.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -82.74 -46.66 12.88 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 120.586 1.539 . . . . 0.0 113.776 176.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -61.5 132.07 52.21 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.367 0.985 . . . . 0.0 111.157 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.7 ttm105 -156.56 53.26 0.53 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.283 1.433 . . . . 0.0 111.332 -171.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -121.46 -23.12 5.73 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.866 1.666 . . . . 0.0 112.375 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.21 156.12 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 126.91 2.084 . . . . 0.0 113.427 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -68.1 154.18 42.21 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 169.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -135.4 158.86 43.31 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.91 1.284 . . . . 0.0 110.278 170.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -61.44 -13.25 18.93 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.2 -9.56 15.01 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.624 1.57 . . . . 0.0 113.431 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.79 -29.14 15.51 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.235 -0.916 . . . . 0.0 111.529 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -35.26 63.97 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.07 -1.019 . . . . 0.0 111.703 174.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.8 51.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.944 1.297 . . . . 0.0 113.472 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.32 -39.75 59.13 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.741 1.216 . . . . 0.0 112.664 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -59.67 -39.33 84.1 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.242 -0.912 . . . . 0.0 110.942 177.867 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.8 -20.91 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 125.188 1.395 . . . . 0.0 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.66 -44.49 18.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.915 -1.116 . . . . 0.0 112.35 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.54 -18.99 39.7 Favored Glycine 0 CA--C 1.539 1.549 0 O-C-N 121.817 -0.552 . . . . 0.0 112.724 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.42 -29.37 68.84 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 118.055 0.927 . . . . 0.0 111.998 172.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.03 -35.71 42.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 113.02 170.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.82 -58.44 3.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.833 0.853 . . . . 0.0 111.57 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.74 -35.39 14.92 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.593 1.557 . . . . 0.0 113.013 -174.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.2 t60 61.63 94.41 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.013 2.125 . . . . 0.0 114.914 -173.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.26 58.82 2.49 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.839 2.055 . . . . 0.0 112.876 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -154.93 84.86 1.09 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.287 1.435 . . . . 0.0 109.641 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.5 -26.73 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 120.48 -1.387 . . . . 0.0 111.177 -171.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -57.82 -4.23 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.731 2.813 . . . . 0.0 114.594 170.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -118.09 -33.45 4.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.209 1.404 . . . . 0.0 112.117 172.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.39 -32.19 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.858 0.863 . . . . 0.0 112.911 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -25.9 60.51 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -71.63 -40.23 69.89 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.858 0.863 . . . . 0.0 112.519 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.95 -41.65 61.7 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.36 0.664 . . . . 0.0 112.05 -167.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.79 -20.99 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 125.264 1.425 . . . . 0.0 113.49 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.94 61.55 0.1 Allowed Glycine 0 N--CA 1.474 1.226 0 CA-C-N 119.289 0.95 . . . . 0.0 115.201 169.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m 52.7 54.04 11.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.651 1.58 . . . . 0.0 113.087 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -101.64 -177.25 3.37 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.562 1.945 . . . . 0.0 112.961 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 p -83.03 163.23 21.1 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.466 1.907 . . . . 0.0 110.639 165.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -89.81 -21.11 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.292 -1.505 . . . . 0.0 113.914 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.96 -49.08 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 125.308 1.443 . . . . 0.0 114.804 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.73 -37.29 79.34 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.657 1.983 . . . . 0.0 112.488 177.151 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -65.06 -37.97 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.306 -0.871 . . . . 0.0 110.029 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -37.34 71.94 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.717 1.207 . . . . 0.0 112.563 -177.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -81.14 -45.85 15.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.166 1.386 . . . . 0.0 113.285 174.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -33.22 73.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.057 0.844 . . . . 0.0 113.209 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.56 -58.84 5.49 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 124.021 0.928 . . . . 0.0 110.473 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -44.59 -28.2 0.56 Allowed 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 175.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -65.35 -37.09 86.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 117.258 -1.353 . . . . 0.0 114.441 172.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -44.27 84.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.311 1.414 . . . . 0.0 109.554 172.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.63 -46.13 80.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.652 1.181 . . . . 0.0 111.398 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.36 -37.85 88.86 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.873 1.269 . . . . 0.0 113.049 173.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -69.01 -43.58 74.53 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.159 0.584 . . . . 0.0 111.843 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mp -75.84 -10.43 59.43 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -52.43 132.06 34.27 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.065 1.346 . . . . 0.0 112.082 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 48.03 54.41 10.15 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.267 1.827 . . . . 0.0 113.351 173.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.3 m -138.97 157.61 45.7 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.204 1.402 . . . . 0.0 111.715 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.322 1.849 . . . . 0.0 110.83 169.551 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -65.0 -31.05 72.1 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.753 -1.217 . . . . 0.0 113.621 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.97 -27.14 36.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.591 1.156 . . . . 0.0 113.079 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.08 -37.67 33.32 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.857 1.263 . . . . 0.0 110.335 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 35.2 t60 -48.08 -54.31 13.59 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 126.973 2.109 . . . . 0.0 110.513 175.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -73.56 4.25 5.16 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.91 -36.22 25.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.363 1.065 . . . . 0.0 108.982 162.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.87 -35.88 58.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.495 -1.378 . . . . 0.0 111.617 171.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.469 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -70.83 -12.13 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.101 1.361 . . . . 0.0 110.871 -168.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.91 -53.13 5.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 126.745 2.018 . . . . 0.0 110.635 172.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.8 -22.14 25.32 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.909 0.766 . . . . 0.0 114.403 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.82 -31.35 71.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.849 1.325 . . . . 0.0 111.669 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -44.19 12.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.793 1.637 . . . . 0.0 112.718 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 mt -69.52 -42.25 74.95 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 121.05 -1.032 . . . . 0.0 111.748 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -100.23 -19.87 16.19 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 t60 55.58 82.67 0.1 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.95 1.3 . . . . 0.0 112.887 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.24 61.7 2.45 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.361 1.465 . . . . 0.0 110.657 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -153.6 79.4 1.15 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 123.251 1.501 . . . . 0.0 109.796 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.596 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.7 m95 -64.4 -27.8 69.25 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.556 -1.34 . . . . 0.0 111.786 -169.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.54 5.47 0.19 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.992 2.517 . . . . 0.0 114.15 171.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -123.39 -29.43 3.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.906 1.283 . . . . 0.0 112.423 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.94 -43.52 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.535 1.134 . . . . 0.0 112.695 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -20.79 59.93 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -78.55 -30.8 47.08 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -75.28 -43.63 50.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 122.648 1.214 . . . . 0.0 111.491 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.45 -42.22 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.684 171.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 C-N-CA 124.848 1.213 . . . . 0.0 111.846 170.188 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 CA--C 1.548 0.876 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.97 -55.62 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 125.614 1.566 . . . . 0.0 114.874 -171.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.48 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.94 -27.85 62.09 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.332 1.053 . . . . 0.0 111.568 177.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mt -69.54 -40.91 80.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.514 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.479 176.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -66.02 -42.44 89.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.385 1.448 . . . . 0.0 111.863 -174.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.6 p -69.21 -32.89 72.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -80.76 -23.69 39.17 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.596 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -73.64 -5.03 37.91 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.415 1.578 . . . . 0.0 113.212 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.45 -37.17 13.34 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 127.584 2.353 . . . . 0.0 110.831 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -65.18 -38.63 91.12 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 117.312 -1.327 . . . . 0.0 113.16 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 2.0 p90 -56.6 -39.92 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.138 1.335 . . . . 0.0 111.21 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 111.481 -175.011 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 119.701 -0.19 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -71.46 -42.67 67.87 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.316 -0.865 . . . . 0.0 112.863 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.02 62.25 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.654 -0.654 . . . . 0.0 112.709 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.18 -38.38 24.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.704 0.802 . . . . 0.0 110.32 173.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.04 70.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.31 0.644 . . . . 0.0 111.441 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.71 -26.33 33.05 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.599 1.16 . . . . 0.0 113.645 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.29 -37.77 18.22 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.752 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.61 -39.1 79.5 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.404 -0.81 . . . . 0.0 110.617 173.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.78 -24.79 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.829 1.252 . . . . 0.0 112.491 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.57 -46.27 17.63 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 123.762 0.825 . . . . 0.0 111.432 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.64 -22.0 23.7 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 123.477 0.56 . . . . 0.0 113.55 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.96 -29.13 69.47 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.451 1.126 . . . . 0.0 112.559 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.41 -30.09 19.74 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.138 1.775 . . . . 0.0 113.118 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.27 -58.47 3.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.035 -1.04 . . . . 0.0 110.42 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -91.7 -33.18 15.15 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -169.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 60.05 100.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.498 2.319 . . . . 0.0 115.934 -169.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.78 60.84 3.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.71 2.404 . . . . 0.0 111.885 169.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.53 79.63 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.547 1.539 . . . . 0.0 109.648 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.87 -28.21 69.39 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 119.854 -1.778 . . . . 0.0 110.801 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -59.35 0.59 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.285 2.234 . . . . 0.0 114.06 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -117.18 -35.46 4.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.915 1.686 . . . . 0.0 112.561 169.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.61 -32.7 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.339 -0.85 . . . . 0.0 113.004 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -35.8 55.56 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -14.21 60.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.263 1.825 . . . . 0.0 113.062 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -86.6 -54.28 4.48 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.557 -0.714 . . . . 0.0 110.77 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.7 -42.49 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.37 0.668 . . . . 0.0 112.132 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 C-N-CA 124.252 0.929 . . . . 0.0 113.888 177.774 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.5 t . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.46 -44.66 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 121.103 1.774 . . . . 0.0 115.127 -170.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.18 -37.85 88.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.429 1.891 . . . . 0.0 111.166 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.29 -31.8 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 123.928 0.891 . . . . 0.0 111.508 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -64.68 -47.69 77.5 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.811 1.187 . . . . 0.0 112.483 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 p -70.3 -35.97 74.02 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -32.77 66.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.181 -0.914 . . . . 0.0 113.101 171.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.62 -53.96 47.74 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.506 1.048 . . . . 0.0 109.803 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -46.89 -27.08 1.13 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -61.51 -36.21 79.87 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 119.822 -1.799 . . . . 0.0 113.659 171.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -41.68 90.13 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.766 1.166 . . . . 0.0 110.018 173.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.2 1.0 . . . . 0.0 112.261 -177.379 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -66.92 -2.62 5.47 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.53 -17.86 13.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.03 1.732 . . . . 0.0 112.503 167.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.11 -30.6 39.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.568 1.147 . . . . 0.0 109.848 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -34.1 67.6 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.195 0.998 . . . . 0.0 112.086 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.48 -29.07 58.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.49 1.116 . . . . 0.0 112.406 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.32 -37.75 56.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.79 0.836 . . . . 0.0 112.446 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -39.41 77.51 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.801 -1.187 . . . . 0.0 111.005 172.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.26 -17.36 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.557 1.543 . . . . 0.0 112.232 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -81.0 -49.3 11.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 120.858 -1.151 . . . . 0.0 112.291 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.41 -21.46 34.1 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.148 0.88 . . . . 0.0 112.803 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.51 -34.03 76.07 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.802 0.801 . . . . 0.0 111.708 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.61 -5.45 55.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.629 1.971 . . . . 0.0 114.045 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -101.91 -54.76 2.65 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.356 1.062 . . . . 0.0 111.85 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -95.5 -22.88 17.37 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.596 1.558 . . . . 0.0 113.967 -171.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 m80 56.23 84.49 0.08 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.49 1.916 . . . . 0.0 114.533 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tptp 70.06 48.24 0.54 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.69 1.596 . . . . 0.0 113.441 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -152.97 90.18 1.43 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.972 1.709 . . . . 0.0 109.736 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.51 -22.34 65.45 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.657 -1.277 . . . . 0.0 112.247 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.45 -3.3 4.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.27 2.628 . . . . 0.0 113.612 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -116.58 -31.21 5.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.772 1.229 . . . . 0.0 112.336 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.4 mt -52.69 -38.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.072 0.949 . . . . 0.0 112.791 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -32.9 51.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.32 -22.66 54.69 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.601 1.16 . . . . 0.0 113.249 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -79.21 -49.84 11.9 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.403 -0.811 . . . . 0.0 109.917 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.88 -43.41 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.594 173.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.232 0 C-N-CA 125.402 1.477 . . . . 0.0 113.875 171.305 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.87 -52.14 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.424 1.09 . . . . 0.0 113.271 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -29.92 60.9 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.801 1.182 . . . . 0.0 112.261 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.73 -40.52 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.571 0.749 . . . . 0.0 110.679 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -59.1 -43.86 91.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.883 0.873 . . . . 0.0 112.198 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -57.56 -53.27 60.07 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.932 0.893 . . . . 0.0 111.432 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -38.46 84.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.628 0.771 . . . . 0.0 112.773 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.08 57.68 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -83.32 -28.57 28.96 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 119.702 -1.874 . . . . 0.0 111.422 165.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -74.51 -36.18 63.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -54.34 -36.07 63.41 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.256 0.934 . . . . 0.0 111.713 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 124.18 0.992 . . . . 0.0 112.07 -176.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.206 0.051 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -72.13 -1.51 15.16 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.12 13.89 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.116 1.366 . . . . 0.0 111.694 168.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -85.54 -27.98 25.21 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 120.658 -1.277 . . . . 0.0 111.363 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.08 51.68 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.579 -0.701 . . . . 0.0 110.802 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.88 -26.89 62.72 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.564 1.546 . . . . 0.0 113.607 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -76.05 -45.34 34.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 127.558 2.343 . . . . 0.0 111.987 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.73 -39.07 76.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.324 0.65 . . . . 0.0 110.249 177.739 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.73 -21.38 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.221 1.008 . . . . 0.0 112.313 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.47 -47.74 25.81 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.615 -1.303 . . . . 0.0 111.276 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.49 -22.13 30.27 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-O 119.623 -0.543 . . . . 0.0 113.396 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.33 -27.9 66.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.81 1.305 . . . . 0.0 112.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.02 24.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.783 1.633 . . . . 0.0 113.638 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -87.2 -56.36 3.41 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.143 0.883 . . . . 0.0 111.953 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -94.82 -30.24 14.32 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.613 1.565 . . . . 0.0 113.881 -173.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 t60 50.87 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.155 2.182 . . . . 0.0 115.379 -169.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.0 56.88 6.52 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.162 2.185 . . . . 0.0 112.295 170.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -153.83 80.23 1.15 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.77 1.271 . . . . 0.0 109.628 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -65.35 -27.73 68.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.596 -1.315 . . . . 0.0 111.482 -169.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -56.88 -5.47 0.24 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.074 2.149 . . . . 0.0 114.426 171.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -115.69 -29.74 6.35 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.293 1.406 . . . . 0.0 112.575 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.44 -35.77 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.663 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -25.15 64.49 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.66 -39.12 64.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.382 0.673 . . . . 0.0 112.494 171.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -68.84 -41.05 79.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.246 1.022 . . . . 0.0 113.177 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.12 -19.49 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 126.151 1.78 . . . . 0.0 113.794 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 N-CA-C 116.509 1.363 . . . . 0.0 116.509 170.278 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.26 -41.57 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -168.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.559 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -86.45 -29.98 22.4 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.043 1.737 . . . . 0.0 111.879 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -64.25 -31.92 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.816 0.846 . . . . 0.0 111.106 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -56.78 -49.13 76.24 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.156 1.382 . . . . 0.0 113.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 p -78.12 -35.83 48.62 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -38.74 91.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.46 0.704 . . . . 0.0 111.697 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.77 -59.86 3.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.262 0.625 . . . . 0.0 111.365 173.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -50.67 -16.73 0.42 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -66.1 -36.39 83.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 120.216 1.371 . . . . 0.0 112.58 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -43.42 77.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.652 1.115 . . . . 0.0 109.706 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 t80 . . . . . 0 CA--C 1.544 0.725 0 C-N-CA 125.314 1.446 . . . . 0.0 113.206 -174.818 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 119.719 -0.182 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.58 -45.58 82.7 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.785 -1.197 . . . . 0.0 112.555 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -18.53 64.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -84.22 -39.15 19.66 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.702 -1.249 . . . . 0.0 110.795 171.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -42.18 79.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.116 -0.99 . . . . 0.0 111.417 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -9.87 1.57 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.774 1.63 . . . . 0.0 115.093 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -100.38 -34.99 9.74 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.965 1.306 . . . . 0.0 112.284 169.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -60.33 -39.92 88.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.387 -1.445 . . . . 0.0 110.494 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.5 -13.81 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.745 1.218 . . . . 0.0 113.509 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.9 -47.9 9.23 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.445 1.498 . . . . 0.0 111.413 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.12 -19.99 18.61 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.605 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.39 -40.64 95.1 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.902 1.351 . . . . 0.0 111.072 172.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.78 58.94 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.529 1.532 . . . . 0.0 113.894 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.7 mt -86.71 -55.21 3.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.996 1.318 . . . . 0.0 111.762 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -96.47 -24.73 15.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.413 1.485 . . . . 0.0 113.825 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 59.74 85.56 0.1 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.194 1.398 . . . . 0.0 113.697 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? 57.39 58.4 3.86 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.634 1.574 . . . . 0.0 111.828 173.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -155.72 85.28 1.04 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 123.609 1.671 . . . . 0.0 109.546 -169.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -67.14 -26.37 66.63 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.462 -1.399 . . . . 0.0 111.401 -171.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 34.3 mmtt -57.24 -2.85 0.12 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.929 2.092 . . . . 0.0 114.736 169.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -121.27 -30.57 4.27 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.621 1.1 . . . . 0.0 112.491 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.5 mt -54.24 -36.84 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -59.09 -27.33 65.46 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.51 -49.06 72.81 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.338 1.055 . . . . 0.0 110.972 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -72.18 -40.62 67.8 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.896 1.278 . . . . 0.0 111.636 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mm -65.83 -15.25 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.411 1.884 . . . . 0.0 113.698 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.415 0 C-N-CA 125.249 1.404 . . . . 0.0 115.999 168.832 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.5 t -50.42 -53.91 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 120.082 1.31 . . . . 0.0 113.515 -171.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.602 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.03 -34.44 78.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.502 1.921 . . . . 0.0 112.517 175.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.56 -35.45 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.223 -0.923 . . . . 0.0 111.206 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.76 -51.68 68.57 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.277 0.631 . . . . 0.0 112.318 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -71.81 -30.49 65.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.71 0.804 . . . . 0.0 113.073 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -37.84 43.96 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.1 -56.21 15.9 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 124.198 0.999 . . . . 0.0 110.292 174.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -45.69 -23.06 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -68.63 -34.76 76.29 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.0 1.273 . . . . 0.0 113.762 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.98 -42.46 85.14 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.451 1.478 . . . . 0.0 109.915 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.0 t80 . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 124.131 0.973 . . . . 0.0 112.935 -172.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.05 -5.16 16.11 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.29 -21.75 13.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 0.0 112.455 168.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.31 -31.7 26.72 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.196 -0.94 . . . . 0.0 110.808 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -36.82 64.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 111.018 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.48 45.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.997 1.319 . . . . 0.0 113.058 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.03 -36.16 61.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.54 1.136 . . . . 0.0 113.465 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.14 79.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.407 0.683 . . . . 0.0 110.306 172.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.4 t -67.52 -13.76 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.391 1.476 . . . . 0.0 112.495 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.81 -47.83 9.35 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.332 -1.48 . . . . 0.0 112.022 173.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -22.4 21.58 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-N 118.429 0.559 . . . . 0.0 113.531 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.82 -30.41 71.51 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.319 1.06 . . . . 0.0 112.335 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 -14.26 30.58 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.485 1.914 . . . . 0.0 114.153 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.0 mt -94.5 -51.73 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.343 1.057 . . . . 0.0 111.587 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.03 -29.12 14.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.238 1.415 . . . . 0.0 113.385 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 55.3 86.48 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.987 1.315 . . . . 0.0 113.354 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm 60.1 70.98 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.143 1.777 . . . . 0.0 111.02 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -161.47 80.76 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.576 1.55 . . . . 0.0 110.688 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.444 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.2 m95 -65.97 -31.5 72.45 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 120.125 -1.609 . . . . 0.0 111.331 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -1.93 0.19 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.518 2.727 . . . . 0.0 114.371 170.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -111.25 -34.9 6.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.025 1.33 . . . . 0.0 111.536 166.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.83 -33.8 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.504 1.122 . . . . 0.0 113.257 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -27.09 62.2 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.27 -22.47 44.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.474 1.109 . . . . 0.0 113.921 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -81.52 -48.33 11.96 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.384 0.612 . . . . 0.0 109.872 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.82 -38.1 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.516 0.726 . . . . 0.0 111.632 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.569 0 C-N-CA 124.84 1.209 . . . . 0.0 115.674 -179.086 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.12 -50.17 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.436 1.471 . . . . 0.0 113.392 -170.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.612 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.51 -34.27 69.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.283 1.433 . . . . 0.0 112.321 174.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.16 -39.46 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.079 0.952 . . . . 0.0 110.805 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.8 -49.62 72.7 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.136 1.374 . . . . 0.0 111.317 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -67.1 -40.75 86.97 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.384 1.074 . . . . 0.0 112.411 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -36.18 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 172.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -70.88 -3.83 21.17 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.46 -1.4 . . . . 0.0 114.439 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -88.98 -27.85 20.62 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 126.44 1.896 . . . . 0.0 111.928 165.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -68.27 -43.69 77.2 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.767 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -54.09 -37.86 64.7 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.948 0.795 . . . . 0.0 111.227 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 125.38 1.472 . . . . 0.0 111.979 -177.185 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -72.46 23.2 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.762 1.625 . . . . 0.0 114.38 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.26 -17.27 0.92 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.666 1.987 . . . . 0.0 112.852 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.95 -39.94 14.32 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.033 0.933 . . . . 0.0 109.553 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.12 78.89 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.616 -0.677 . . . . 0.0 111.748 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -11.4 1.84 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.252 1.821 . . . . 0.0 114.878 173.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -90.07 -41.64 11.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.14 1.776 . . . . 0.0 111.448 171.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -39.48 75.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.004 -1.06 . . . . 0.0 110.742 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.63 -12.87 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.09 2.156 . . . . 0.0 113.351 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.98 -48.5 6.95 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.035 1.334 . . . . 0.0 112.116 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.84 -20.79 27.42 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.427 0.558 . . . . 0.0 113.581 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -61.98 -33.04 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.323 1.061 . . . . 0.0 112.004 172.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.98 -6.52 55.56 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.423 1.889 . . . . 0.0 114.524 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -105.26 -53.43 2.66 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.119 1.368 . . . . 0.0 112.224 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -95.96 -22.46 17.39 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.638 1.175 . . . . 0.0 113.598 -174.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 56.89 82.5 0.12 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.695 1.998 . . . . 0.0 113.768 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 57.45 66.33 1.17 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.5 2.32 . . . . 0.0 111.978 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -155.37 79.47 1.03 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.282 1.433 . . . . 0.0 108.075 -170.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.436 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.5 m95 -65.57 -29.68 70.33 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.648 -1.283 . . . . 0.0 110.222 -171.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -58.36 5.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 129.361 3.065 . . . . 0.0 114.954 170.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -124.69 -34.59 2.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.952 1.701 . . . . 0.0 112.595 168.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.3 mt -54.74 -38.28 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.409 1.004 . . . . 0.0 112.969 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -33.01 22.02 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -76.39 -24.09 54.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.788 1.235 . . . . 0.0 113.501 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -81.28 -43.42 19.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.997 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.36 -39.71 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.529 1.132 . . . . 0.0 110.23 170.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 C-N-CA 124.089 0.852 . . . . 0.0 113.984 169.451 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.48 -48.95 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.946 -1.096 . . . . 0.0 113.562 -169.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -35.91 81.02 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 111.801 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.1 -33.44 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -58.15 -37.15 74.1 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.987 1.267 . . . . 0.0 112.187 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -68.97 -51.43 39.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.686 1.995 . . . . 0.0 111.986 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -31.12 34.76 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.741 -0.6 . . . . 0.0 112.506 -177.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -70.51 -6.12 33.88 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -87.3 -32.65 19.56 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.482 -1.386 . . . . 0.0 110.682 164.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -67.84 -34.7 77.22 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 117.378 -1.296 . . . . 0.0 114.385 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.43 -41.5 72.87 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.108 1.322 . . . . 0.0 110.935 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 124.307 1.043 . . . . 0.0 112.617 -173.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -73.65 -27.08 61.07 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.097 -1.002 . . . . 0.0 112.936 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.98 -23.71 52.3 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.206 1.003 . . . . 0.0 113.118 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.21 -39.82 16.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.193 0.906 . . . . 0.0 110.106 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.66 76.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.259 -0.901 . . . . 0.0 112.031 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.46 -16.02 8.42 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.1 -45.53 13.87 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.361 1.437 . . . . 0.0 112.09 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.13 -38.15 73.05 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.234 -0.916 . . . . 0.0 111.678 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.5 -19.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.496 1.119 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -81.23 -43.18 19.62 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.943 -1.098 . . . . 0.0 112.049 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.35 -20.51 29.84 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.177 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.78 -17.64 62.78 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.898 1.349 . . . . 0.0 113.313 173.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.11 -23.47 17.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 113.214 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.93 -57.27 3.1 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.342 1.057 . . . . 0.0 111.952 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -98.7 -8.93 25.33 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.601 1.56 . . . . 0.0 113.35 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m80 67.69 -56.62 0.47 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.437 2.695 . . . . 0.0 116.232 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -163.83 64.61 0.16 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.185 1.394 . . . . 0.0 111.55 -173.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -155.98 95.06 1.59 Allowed 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.843 1.257 . . . . 0.0 109.901 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -65.81 -25.17 67.11 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 120.805 -1.184 . . . . 0.0 110.455 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -59.16 -5.3 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.738 1.615 . . . . 0.0 113.783 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -116.6 -30.61 5.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.906 1.683 . . . . 0.0 112.185 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.3 mt -57.74 -29.67 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.679 -1.263 . . . . 0.0 113.025 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -28.71 62.35 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.54 -34.19 69.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.781 1.633 . . . . 0.0 112.642 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -76.57 -44.93 32.62 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.64 -0.663 . . . . 0.0 110.621 -171.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.5 -23.71 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 124.185 0.994 . . . . 0.0 111.606 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.51 0 O-C-N 120.614 -1.303 . . . . 0.0 114.518 -178.84 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.2 -43.9 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -170.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.573 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -70.52 -41.13 72.99 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.361 1.864 . . . . 0.0 112.728 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.38 -31.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.685 0.794 . . . . 0.0 111.982 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -62.47 -45.28 93.76 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.856 0.753 . . . . 0.0 112.983 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 m -77.97 -37.25 47.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.467 1.107 . . . . 0.0 112.989 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -29.92 62.69 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -54.44 -56.84 14.61 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 119.417 1.008 . . . . 0.0 109.805 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -48.04 -28.16 2.67 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -61.17 -36.66 80.43 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 117.452 -1.261 . . . . 0.0 112.866 171.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -39.44 70.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.56 1.527 . . . . 0.0 111.227 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 124.364 1.066 . . . . 0.0 112.231 -178.526 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.12 -37.17 71.59 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 120.518 1.508 . . . . 0.0 114.257 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.23 66.2 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.593 -0.692 . . . . 0.0 112.595 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.91 -41.55 13.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.413 1.085 . . . . 0.0 111.168 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -37.36 72.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.17 -27.22 13.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.877 1.271 . . . . 0.0 113.917 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -89.98 -32.33 16.84 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.276 1.43 . . . . 0.0 113.244 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.53 -39.96 81.62 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.338 -0.851 . . . . 0.0 111.176 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -62.82 -19.66 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -85.78 -44.09 12.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.131 -0.981 . . . . 0.0 113.247 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.95 -18.74 34.47 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 118.983 0.81 . . . . 0.0 113.438 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.41 -37.08 84.43 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.959 0.879 . . . . 0.0 111.33 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.53 60.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.901 1.28 . . . . 0.0 113.391 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -83.89 -54.86 4.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 111.822 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.53 -26.86 19.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.393 1.477 . . . . 0.0 113.232 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 t60 51.11 98.71 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.006 2.123 . . . . 0.0 114.686 -170.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? 57.35 56.53 5.03 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.79 1.636 . . . . 0.0 112.182 168.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.89 81.72 1.21 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.347 1.059 . . . . 0.0 110.562 -172.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -62.37 -26.48 68.48 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.951 -1.093 . . . . 0.0 112.284 -170.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.16 3.3 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 128.841 2.856 . . . . 0.0 115.076 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -120.6 -33.05 3.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.98 1.312 . . . . 0.0 111.548 169.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -56.09 -36.71 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.837 0.855 . . . . 0.0 112.767 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -35.35 16.81 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.74 -21.52 37.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -80.48 -38.94 28.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.125 0.964 . . . . 0.0 112.008 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.67 -34.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.066 1.346 . . . . 0.0 113.544 170.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 CA-C-N 119.192 0.906 . . . . 0.0 114.033 -179.738 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -52.59 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 124.894 1.278 . . . . 0.0 114.362 -172.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.578 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.48 -34.04 69.83 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.768 1.227 . . . . 0.0 110.661 175.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.15 -40.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.072 0.949 . . . . 0.0 110.687 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -63.24 -38.31 90.66 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.345 1.458 . . . . 0.0 112.876 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -75.03 -47.62 28.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.872 2.469 . . . . 0.0 112.845 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -33.77 74.55 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.758 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.14 -58.27 6.55 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 123.718 0.807 . . . . 0.0 110.32 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -48.1 -24.82 1.22 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.97 -29.31 69.69 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.941 1.246 . . . . 0.0 114.278 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.86 72.27 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.449 1.477 . . . . 0.0 112.207 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.361 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -69.79 -5.56 26.29 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.85 -22.67 17.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.062 -1.024 . . . . 0.0 111.846 167.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.88 -36.02 14.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.697 1.599 . . . . 0.0 111.126 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -33.05 65.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.518 1.527 . . . . 0.0 111.286 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.87 -27.62 44.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.754 1.222 . . . . 0.0 113.034 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.91 -36.16 49.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.249 0.62 . . . . 0.0 110.831 170.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.45 -19.58 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.976 0.911 . . . . 0.0 112.581 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -82.35 -42.12 19.12 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.232 -0.918 . . . . 0.0 112.731 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.88 -19.25 49.56 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-O 119.435 -0.647 . . . . 0.0 112.6 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.25 -13.0 61.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.192 1.496 . . . . 0.0 112.986 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.16 -4.86 25.16 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.483 1.913 . . . . 0.0 114.042 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -107.66 -55.42 2.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.975 1.31 . . . . 0.0 111.775 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -102.23 -10.7 19.33 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.317 2.247 . . . . 0.0 113.192 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 m80 68.32 -61.52 0.39 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.83 2.452 . . . . 0.0 115.994 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.76 58.43 0.43 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.943 1.297 . . . . 0.0 111.312 -169.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -156.19 89.77 1.16 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 123.073 1.416 . . . . 0.0 110.192 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -65.72 -25.62 67.38 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.105 -0.997 . . . . 0.0 111.266 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -4.5 2.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.495 1.918 . . . . 0.0 113.601 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -114.54 -32.4 5.9 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.673 1.124 . . . . 0.0 112.064 171.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.03 -30.75 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.906 1.282 . . . . 0.0 112.412 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -31.91 28.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 169.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.02 -16.03 51.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.136 0.974 . . . . 0.0 113.55 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -82.44 -47.99 11.6 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.55 -0.719 . . . . 0.0 111.017 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.53 -32.45 36.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.313 1.045 . . . . 0.0 112.152 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.216 0 C-N-CA 124.648 1.118 . . . . 0.0 114.677 -175.598 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.66 -38.48 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -171.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.41 -31.37 69.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.176 1.791 . . . . 0.0 113.137 171.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -69.03 -39.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.792 -1.192 . . . . 0.0 110.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -54.23 -49.91 68.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.57 1.548 . . . . 0.0 112.464 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.4 p -75.97 -36.13 59.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.9 1.28 . . . . 0.0 113.333 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -32.32 70.35 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 172.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -56.45 -55.4 34.07 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.103 0.865 . . . . 0.0 110.655 -177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -44.09 -29.22 0.58 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -63.56 -32.43 73.89 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.727 -1.233 . . . . 0.0 113.879 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -41.63 89.14 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.146 1.339 . . . . 0.0 110.748 171.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 CA--C 1.539 0.549 0 C-N-CA 125.05 1.34 . . . . 0.0 112.044 -175.502 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -59.09 -12.54 5.05 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.84 5.33 3.63 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.305 1.842 . . . . 0.0 113.523 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.08 -29.91 28.41 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.837 -1.165 . . . . 0.0 110.011 169.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -55.03 -34.22 63.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.66 -0.65 . . . . 0.0 111.135 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -11.62 10.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.054 1.342 . . . . 0.0 114.241 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -82.92 -43.02 16.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.311 1.445 . . . . 0.0 110.826 168.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.98 -36.74 68.2 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.183 -0.948 . . . . 0.0 111.087 173.291 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -66.42 -12.7 15.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.726 1.611 . . . . 0.0 112.699 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.94 -47.96 8.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.621 -1.299 . . . . 0.0 112.035 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.68 -18.1 15.9 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.806 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.76 -39.29 93.37 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.976 1.388 . . . . 0.0 111.227 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.09 60.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.215 1.406 . . . . 0.0 113.246 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.52 -62.65 1.5 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.547 1.139 . . . . 0.0 111.086 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -87.83 -25.12 23.48 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.119 0.968 . . . . 0.0 113.609 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t60 57.17 88.51 0.05 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.772 2.029 . . . . 0.0 114.195 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? 58.78 61.74 2.1 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.928 2.091 . . . . 0.0 111.847 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -152.38 86.84 1.29 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 123.06 1.409 . . . . 0.0 109.977 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -64.69 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.723 1.209 . . . . 0.0 110.802 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -57.66 -5.31 0.36 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.684 1.993 . . . . 0.0 114.055 168.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.66 -33.33 5.55 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.837 1.198 . . . . 0.0 112.357 169.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.27 -34.23 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.671 0.789 . . . . 0.0 112.79 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -27.3 65.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -70.77 -33.39 70.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.052 0.941 . . . . 0.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -77.27 -41.91 39.08 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 111.147 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.2 -31.46 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.063 169.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.146 0 C-N-CA 127.129 2.299 . . . . 0.0 114.857 169.694 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.05 -47.89 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.457 -1.402 . . . . 0.0 113.518 -170.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.5 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.98 -34.66 78.24 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.354 -0.841 . . . . 0.0 111.908 175.309 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.7 -37.95 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.778 0.831 . . . . 0.0 110.736 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 tpt85 -60.61 -44.57 96.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -174.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -66.91 -48.63 68.11 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.177 0.923 . . . . 0.0 111.263 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.37 -34.32 74.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -55.53 -57.25 12.69 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.138 0.881 . . . . 0.0 110.558 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -53.16 -20.12 3.59 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 119.909 -1.744 . . . . 0.0 115.122 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -69.41 -33.92 73.72 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.331 -1.319 . . . . 0.0 112.929 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -44.59 94.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.933 1.697 . . . . 0.0 109.863 169.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.9 t80 . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 124.682 1.193 . . . . 0.0 112.176 -175.019 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.676 0.275 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -63.21 -26.17 68.67 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.23 -29.21 48.09 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.549 -0.719 . . . . 0.0 112.264 169.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -36.55 28.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.9 0.88 . . . . 0.0 110.848 -177.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -39.35 69.92 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.762 0.825 . . . . 0.0 111.239 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -14.87 9.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.405 1.482 . . . . 0.0 114.327 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -92.19 -41.93 10.17 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 125.814 1.646 . . . . 0.0 113.366 172.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.41 -40.53 82.7 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.959 -1.088 . . . . 0.0 111.649 178.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.89 -14.91 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.01 -44.23 16.93 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.96 -19.5 22.72 Favored Glycine 0 CA--C 1.543 1.816 0 O-C-N 121.832 -0.543 . . . . 0.0 113.35 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.76 -23.73 64.35 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.297 -1.12 . . . . 0.0 113.103 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.12 -34.69 13.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.065 1.746 . . . . 0.0 113.439 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.83 -59.72 2.76 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.944 -1.097 . . . . 0.0 110.063 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.08 -40.98 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.566 1.546 . . . . 0.0 111.795 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.5 t60 64.07 95.69 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.336 1.854 . . . . 0.0 114.592 -171.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.01 64.13 1.47 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.798 2.439 . . . . 0.0 112.354 173.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -159.81 86.54 0.78 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.586 1.184 . . . . 0.0 110.484 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.47 -24.67 63.82 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.706 -1.246 . . . . 0.0 111.284 -171.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -61.35 0.55 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.529 2.332 . . . . 0.0 114.504 171.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -120.83 -35.99 3.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 111.893 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.51 -36.86 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.934 0.894 . . . . 0.0 113.298 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -25.56 65.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -77.41 -28.89 52.8 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -74.61 -43.0 57.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.514 0.673 . . . . 0.0 111.353 -174.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.58 -45.5 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.302 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.236 0 CA-C-N 118.839 0.745 . . . . 0.0 114.497 170.196 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.7 t . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.7 t -52.87 -55.07 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.568 1.147 . . . . 0.0 114.032 -171.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.609 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.94 -35.21 80.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.782 2.033 . . . . 0.0 112.388 176.435 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mt -70.49 -35.41 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.442 -0.786 . . . . 0.0 111.013 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -65.31 -43.44 91.03 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.515 0.726 . . . . 0.0 112.501 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.5 p -70.09 -38.56 75.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.691 0.796 . . . . 0.0 112.479 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -33.29 64.12 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.94 -53.07 57.82 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 119.288 0.949 . . . . 0.0 111.086 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -45.76 -27.91 0.93 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.64 -36.81 84.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.688 1.131 . . . . 0.0 113.002 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -46.13 83.07 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.268 1.395 . . . . 0.0 109.485 171.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 CA--C 1.532 0.288 0 C-N-CA 125.6 1.56 . . . . 0.0 112.158 -173.069 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.36 -37.6 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.335 1.88 . . . . 0.0 114.759 -169.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -18.29 64.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.606 -1.308 . . . . 0.0 113.303 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -89.28 -47.0 8.35 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.216 -0.927 . . . . 0.0 110.633 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -35.27 72.82 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.95 1.3 . . . . 0.0 111.362 -176.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.03 34.02 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 117.88 -1.057 . . . . 0.0 113.8 175.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.13 -32.98 29.87 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.358 1.436 . . . . 0.0 113.509 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.51 -39.73 77.17 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.562 -0.711 . . . . 0.0 110.235 169.24 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.22 -17.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.778 1.231 . . . . 0.0 112.668 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -84.64 -45.65 12.28 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.287 1.035 . . . . 0.0 112.327 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 -16.85 29.66 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 113.608 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.99 -41.53 96.67 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.495 1.147 . . . . 0.0 111.324 170.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.0 61.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.327 1.451 . . . . 0.0 113.032 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.52 -66.11 0.91 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.072 0.851 . . . . 0.0 110.708 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.24 -19.39 36.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.88 -170.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 t60 59.54 80.31 0.2 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.295 1.438 . . . . 0.0 113.782 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? 61.38 60.42 1.71 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.013 2.125 . . . . 0.0 111.761 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -151.86 92.2 1.71 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.226 1.41 . . . . 0.0 110.077 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -68.39 -28.13 66.83 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.049 -1.032 . . . . 0.0 111.146 -170.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -62.26 4.06 0.15 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.716 2.406 . . . . 0.0 114.586 171.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -123.03 -34.34 3.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.767 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mt -52.54 -35.7 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.31 -0.869 . . . . 0.0 112.988 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -30.15 36.2 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -88.47 -14.61 37.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.913 1.285 . . . . 0.0 113.678 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -79.56 -46.09 17.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.757 0.823 . . . . 0.0 111.218 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.27 -44.85 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 124.262 1.025 . . . . 0.0 110.711 170.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.188 0 C-N-CA 125.034 1.302 . . . . 0.0 115.433 169.316 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.5 t . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.81 -57.54 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 124.781 1.232 . . . . 0.0 113.513 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.592 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.44 -33.6 74.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.078 1.751 . . . . 0.0 112.286 175.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.42 -41.23 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 119.2 0.909 . . . . 0.0 111.236 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -63.59 -44.69 93.26 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.663 1.185 . . . . 0.0 110.391 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.5 m -67.11 -37.82 84.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.863 -1.517 . . . . 0.0 112.491 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.98 -31.58 50.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 171.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -56.42 -54.47 45.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.519 1.054 . . . . 0.0 109.989 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.93 -11.2 0.59 Allowed 'General case' 0 CA--C 1.559 1.307 0 O-C-N 119.53 -1.981 . . . . 0.0 116.02 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -80.27 -30.64 38.4 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.124 1.369 . . . . 0.0 113.429 168.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -39.69 80.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.759 1.618 . . . . 0.0 109.942 169.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 t80 . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 123.918 0.887 . . . . 0.0 112.845 -172.782 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.98 -31.35 72.21 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.111 1.323 . . . . 0.0 113.325 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.58 -18.6 61.05 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.996 -1.065 . . . . 0.0 113.349 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.24 -38.61 13.31 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -36.52 80.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.967 -1.083 . . . . 0.0 111.706 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.3 -9.4 2.23 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -95.19 -44.95 7.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.664 1.585 . . . . 0.0 112.251 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.52 -40.06 71.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.546 0.738 . . . . 0.0 111.927 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.53 -18.54 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.304 1.441 . . . . 0.0 112.557 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.24 -46.71 10.78 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.576 1.151 . . . . 0.0 111.67 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.54 -20.17 37.22 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.897 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -36.71 79.88 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.183 0.991 . . . . 0.0 111.804 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.54 44.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.761 1.224 . . . . 0.0 113.254 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.52 -57.27 3.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.933 1.293 . . . . 0.0 111.677 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.41 -22.99 21.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 52.64 89.0 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.659 1.984 . . . . 0.0 113.301 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.0 tptp 56.66 66.32 1.21 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.43 1.892 . . . . 0.0 110.524 171.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -161.33 83.98 0.64 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.055 1.742 . . . . 0.0 110.075 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -64.62 -26.68 68.5 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.167 -1.583 . . . . 0.0 112.304 -172.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 14.1 mmmm -59.48 -2.26 0.31 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 128.761 2.824 . . . . 0.0 114.263 173.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -118.61 -28.48 5.65 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.272 1.029 . . . . 0.0 112.654 170.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.16 -34.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.264 -0.898 . . . . 0.0 112.217 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.31 -23.08 46.33 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 175.548 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.71 -29.91 51.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.635 1.174 . . . . 0.0 113.681 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -82.4 -40.05 21.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.032 0.92 . . . . 0.0 112.117 -169.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.66 -34.41 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.634 169.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.646 0 C-N-CA 124.18 0.895 . . . . 0.0 114.816 -172.617 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.37 -46.63 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-N 119.813 1.188 . . . . 0.0 113.293 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.99 -35.27 69.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.614 1.966 . . . . 0.0 114.096 175.661 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.93 -37.27 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 120.873 -1.142 . . . . 0.0 111.688 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -56.95 -47.7 80.06 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.348 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 p -74.78 -36.3 62.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.485 1.514 . . . . 0.0 113.5 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -32.24 61.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.808 0.731 . . . . 0.0 112.748 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.36 -52.19 60.03 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.64 0.776 . . . . 0.0 110.577 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -44.38 -30.57 0.86 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -65.81 -30.06 70.63 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.462 -1.399 . . . . 0.0 114.55 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -43.2 94.4 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 121.205 1.821 . . . . 0.0 110.44 169.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 CA--C 1.54 0.561 0 C-N-CA 126.794 2.038 . . . . 0.0 112.949 -171.563 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.21 -37.39 87.05 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.671 -1.268 . . . . 0.0 110.639 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -29.45 68.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.679 1.191 . . . . 0.0 113.587 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.71 -28.0 30.82 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.998 -1.064 . . . . 0.0 111.124 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -40.61 71.04 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.389 -0.82 . . . . 0.0 111.483 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -9.01 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.435 1.894 . . . . 0.0 115.049 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -95.18 -44.43 7.63 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.988 1.315 . . . . 0.0 112.138 171.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.94 -40.23 79.99 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.132 -0.98 . . . . 0.0 111.203 -179.279 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.23 -16.34 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.499 1.119 . . . . 0.0 113.608 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.77 -46.71 12.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.706 1.203 . . . . 0.0 111.784 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -19.71 30.28 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.096 -0.835 . . . . 0.0 113.333 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.49 -35.58 79.79 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.912 1.356 . . . . 0.0 111.804 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.34 -28.41 47.24 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.36 1.464 . . . . 0.0 113.493 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.39 -51.29 6.02 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.159 1.384 . . . . 0.0 112.326 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -99.41 -16.17 18.49 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.5 t60 53.9 79.0 0.14 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.629 1.572 . . . . 0.0 113.764 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? 58.2 73.16 0.48 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.981 2.112 . . . . 0.0 110.714 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -160.09 83.81 0.72 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 123.071 1.415 . . . . 0.0 110.154 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -66.7 -29.93 70.04 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.347 -1.471 . . . . 0.0 111.164 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.2 6.37 0.42 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.66 1.984 . . . . 0.0 113.768 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -118.35 -38.57 3.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.547 1.539 . . . . 0.0 111.173 166.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.74 -36.14 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.228 0.922 . . . . 0.0 112.684 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -33.54 47.4 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.83 -27.69 57.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.848 1.259 . . . . 0.0 111.815 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.87 -46.83 28.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.829 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.45 -51.54 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 117.38 -1.295 . . . . 0.0 112.884 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 120.369 2.907 . . . . 0.0 120.369 -168.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -50.15 -46.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.62 1.168 . . . . 0.0 113.525 -172.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.537 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -63.33 -35.86 81.79 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.93 1.292 . . . . 0.0 113.233 175.217 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mt -71.2 -34.4 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.273 -0.892 . . . . 0.0 110.52 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -61.86 -43.81 98.1 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.077 0.853 . . . . 0.0 113.13 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -77.61 -34.53 53.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.589 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -72.62 -32.27 65.79 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.892 1.223 . . . . 0.0 113.511 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -50.12 -51.51 42.59 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.811 0.844 . . . . 0.0 110.652 173.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 -26.99 1.73 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.78 -35.06 73.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.118 -1.614 . . . . 0.0 113.22 170.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -38.21 77.76 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.741 1.155 . . . . 0.0 110.515 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 124.678 1.191 . . . . 0.0 112.579 -177.223 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -69.78 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.933 -1.104 . . . . 0.0 113.211 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.51 -23.91 50.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.943 0.897 . . . . 0.0 113.092 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -87.37 -40.96 13.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.259 1.024 . . . . 0.0 110.262 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -36.73 74.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.299 -0.876 . . . . 0.0 111.994 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.43 -14.89 2.17 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.31 1.444 . . . . 0.0 114.33 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.68 -36.86 10.12 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.152 1.342 . . . . 0.0 113.082 172.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -39.14 74.45 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.55 -1.344 . . . . 0.0 112.164 174.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.45 -7.96 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.12 -49.26 7.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.876 1.271 . . . . 0.0 112.382 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.96 31.52 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-N 118.095 0.407 . . . . 0.0 113.32 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.13 -29.21 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.958 0.903 . . . . 0.0 112.744 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.84 -9.74 28.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.692 1.997 . . . . 0.0 113.942 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.95 -65.54 0.96 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -82.73 -26.37 32.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.641 1.176 . . . . 0.0 113.413 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 56.23 92.21 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.154 1.781 . . . . 0.0 113.794 -173.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? 57.82 62.7 2.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.705 2.002 . . . . 0.0 112.708 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -156.06 80.55 0.99 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.944 1.297 . . . . 0.0 109.708 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -64.29 -28.39 69.68 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.25 -1.531 . . . . 0.0 111.567 -171.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 30.1 mmmt -56.69 -5.32 0.21 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.325 2.65 . . . . 0.0 114.604 170.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -117.26 -28.25 6.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.752 1.221 . . . . 0.0 112.667 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mt -59.29 -31.96 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.164 0.986 . . . . 0.0 112.31 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.2 -29.78 47.32 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 172.261 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.77 -24.33 52.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -78.72 -47.29 17.17 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.088 -1.007 . . . . 0.0 110.776 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.97 -38.53 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 111.772 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 C-N-CA 124.72 1.152 . . . . 0.0 113.422 174.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -49.27 -53.06 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-N 120.798 1.636 . . . . 0.0 115.041 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.585 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.53 -34.45 77.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.804 1.241 . . . . 0.0 112.053 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.09 -40.32 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.377 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.6 ttp85 -66.97 -36.64 82.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.701 1.201 . . . . 0.0 112.248 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -47.29 73.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 113.103 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -25.49 39.12 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -176.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.43 31.2 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -50.86 -24.31 3.46 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -66.26 -36.51 83.17 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.645 -1.284 . . . . 0.0 112.549 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -38.46 72.79 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.866 1.666 . . . . 0.0 112.048 172.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 125.567 1.547 . . . . 0.0 111.29 -176.849 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.46 -22.76 64.56 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.972 -1.08 . . . . 0.0 113.296 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.54 -18.58 40.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 169.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -41.51 11.31 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.07 0.948 . . . . 0.0 109.235 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.07 81.95 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.286 -0.884 . . . . 0.0 111.434 176.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.35 -8.89 1.92 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.776 1.631 . . . . 0.0 114.888 172.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -100.4 -36.65 9.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.9 1.68 . . . . 0.0 112.578 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -39.93 69.05 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.363 -0.836 . . . . 0.0 110.664 169.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.82 -16.28 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 126.391 1.876 . . . . 0.0 114.098 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.65 -51.39 6.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.954 1.302 . . . . 0.0 111.388 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.64 -15.13 32.0 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.135 -0.814 . . . . 0.0 113.356 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.42 -45.61 88.11 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.579 1.19 . . . . 0.0 110.703 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.73 63.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.01 1.724 . . . . 0.0 113.432 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -79.91 -58.68 3.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.912 0.885 . . . . 0.0 111.004 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -88.71 -14.19 37.86 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 t60 63.03 74.1 0.44 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.288 1.035 . . . . 0.0 111.906 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 52' ' ' TYR . 30.7 mmtp 55.11 63.51 2.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.474 2.31 . . . . 0.0 111.977 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -146.77 84.4 1.61 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.859 1.264 . . . . 0.0 108.328 -168.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -63.77 -32.69 74.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.129 1.372 . . . . 0.0 111.044 -169.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -58.24 -3.33 0.25 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.301 2.241 . . . . 0.0 113.807 170.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -116.75 -36.4 3.9 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.336 1.454 . . . . 0.0 112.116 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.2 mt -53.48 -38.19 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.973 0.909 . . . . 0.0 113.053 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.63 -32.72 52.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.88 -20.01 56.77 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.065 0.946 . . . . 0.0 113.265 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -78.63 -41.78 30.6 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.556 0.742 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.77 -40.76 61.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.719 0 N-CA-C 118.564 2.186 . . . . 0.0 118.564 -179.745 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -48.52 -47.13 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 125.613 1.565 . . . . 0.0 113.7 -174.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.623 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.5 -38.63 87.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.085 1.754 . . . . 0.0 112.667 176.28 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.3 mt -69.1 -34.64 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 121.44 -0.787 . . . . 0.0 110.728 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -59.95 -42.7 94.6 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 p -80.4 -43.84 20.36 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 113.217 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -28.58 65.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.405 1.457 . . . . 0.0 112.757 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.27 78.48 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.022 -1.049 . . . . 0.0 110.207 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.0 -20.0 3.1 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 119.998 -1.688 . . . . 0.0 114.9 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -73.68 -34.67 64.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.733 1.213 . . . . 0.0 113.752 169.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -54.39 -42.22 70.13 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.805 1.639 . . . . 0.0 110.521 171.57 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.0 t80 . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.76 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.755 0.312 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -66.84 0.8 2.19 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.56 -16.25 5.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 113.229 169.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.76 -27.3 61.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.432 -1.418 . . . . 0.0 109.931 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -53.14 -33.22 51.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.324 1.049 . . . . 0.0 111.546 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -12.56 20.21 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 113.743 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -85.74 -39.15 17.49 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.956 1.702 . . . . 0.0 111.936 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.32 -40.0 70.64 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 121.083 -1.011 . . . . 0.0 110.677 169.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.45 -20.82 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.017 1.727 . . . . 0.0 112.751 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -82.97 -42.43 17.6 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.904 -1.122 . . . . 0.0 112.101 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.47 -20.78 52.55 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.024 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.16 -18.51 64.63 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.759 1.28 . . . . 0.0 112.689 173.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.9 -25.43 16.57 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.267 1.427 . . . . 0.0 113.571 170.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt -86.28 -51.05 6.5 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.992 1.317 . . . . 0.0 113.105 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -100.77 -4.83 27.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.647 1.579 . . . . 0.0 113.236 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.0 t60 68.92 -62.62 0.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.519 2.727 . . . . 0.0 115.221 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 70.81 0.3 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.562 1.545 . . . . 0.0 110.46 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -157.76 99.96 1.73 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.008 1.385 . . . . 0.0 110.537 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -64.37 -22.85 67.09 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.691 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -72.36 6.52 2.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.78 1.632 . . . . 0.0 113.288 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -124.45 -29.02 3.55 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.574 1.55 . . . . 0.0 112.318 170.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -56.12 -28.67 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.477 0.711 . . . . 0.0 112.61 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -34.56 60.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.27 -27.91 60.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.461 1.105 . . . . 0.0 113.717 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -78.56 -44.94 22.95 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.355 -0.84 . . . . 0.0 111.183 -170.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.92 -50.97 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.578 1.551 . . . . 0.0 110.361 169.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 C-N-CA 126.603 2.049 . . . . 0.0 114.299 176.26 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.353 0.8 OUTLIER . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.9 -40.0 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.927 1.694 . . . . 0.0 112.165 -175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.29 62.0 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.65 1.18 . . . . 0.0 112.473 174.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -64.55 -39.42 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.008 -1.057 . . . . 0.0 110.857 173.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -57.41 -46.63 83.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.432 1.093 . . . . 0.0 112.164 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.7 p -74.63 -40.71 61.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.643 1.177 . . . . 0.0 112.811 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.24 -35.48 79.65 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.967 173.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.32 -56.65 16.33 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.365 1.066 . . . . 0.0 110.813 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -43.74 -30.34 0.63 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.57 -37.12 86.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -43.85 78.87 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.365 1.439 . . . . 0.0 109.987 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 124.227 1.011 . . . . 0.0 113.08 -175.547 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -66.22 -24.32 66.58 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.88 64.73 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 112.238 169.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.92 -34.72 24.44 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.166 0.987 . . . . 0.0 110.902 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -36.11 68.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 111.652 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -16.95 3.62 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.451 1.5 . . . . 0.0 114.712 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -92.52 -39.46 11.36 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.796 1.18 . . . . 0.0 113.266 172.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -56.38 -39.99 73.86 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.256 -0.903 . . . . 0.0 111.843 176.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -65.52 -18.41 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -83.08 -43.7 15.99 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 123.898 0.879 . . . . 0.0 111.955 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.91 -23.28 14.86 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.69 -0.506 . . . . 0.0 113.238 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.78 -35.58 80.32 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.423 1.111 . . . . 0.0 111.665 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.61 -24.32 42.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.387 1.475 . . . . 0.0 114.506 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 mt -87.66 -42.61 12.54 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.461 1.104 . . . . 0.0 112.743 -176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.59 -16.03 12.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.814 1.245 . . . . 0.0 114.027 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 t60 56.15 67.4 1.01 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.863 1.265 . . . . 0.0 114.404 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.95 72.9 0.35 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.903 2.081 . . . . 0.0 112.235 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -159.6 86.27 0.79 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.671 1.588 . . . . 0.0 110.093 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -66.98 -27.38 67.39 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.028 -1.67 . . . . 0.0 111.498 -171.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 32.0 mmtp -60.16 3.42 0.07 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.531 2.332 . . . . 0.0 114.279 169.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -123.1 -28.8 3.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.477 1.511 . . . . 0.0 111.717 169.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.66 -34.84 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.175 -0.953 . . . . 0.0 112.786 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.57 -32.88 52.69 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 173.243 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.1 -32.9 72.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.841 0.857 . . . . 0.0 113.259 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -80.13 -42.64 23.12 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 122.507 1.146 . . . . 0.0 111.09 -170.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.24 -39.39 64.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.765 170.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 117.33 1.692 . . . . 0.0 117.33 168.5 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.17 -58.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 119.679 1.127 . . . . 0.0 113.877 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.613 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.26 -34.02 77.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.062 2.145 . . . . 0.0 112.624 175.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.33 -36.17 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.408 -0.807 . . . . 0.0 110.692 175.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -61.28 -46.37 90.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.182 0.901 . . . . 0.0 111.783 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.1 m -67.36 -32.56 73.57 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -39.84 41.43 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.843 0.747 . . . . 0.0 112.707 171.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.65 -57.59 8.74 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.099 0.96 . . . . 0.0 111.008 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -45.84 -23.85 0.32 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -69.19 -33.27 73.09 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.828 1.195 . . . . 0.0 113.716 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -37.92 68.42 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.226 1.375 . . . . 0.0 111.254 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 125.585 1.554 . . . . 0.0 112.341 -179.102 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.06 0.457 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -61.44 -13.25 18.93 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.2 -9.56 15.01 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.624 1.57 . . . . 0.0 113.431 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.79 -29.14 15.51 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.235 -0.916 . . . . 0.0 111.529 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -35.26 63.97 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.07 -1.019 . . . . 0.0 111.703 174.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.8 51.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.944 1.297 . . . . 0.0 113.472 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.32 -39.75 59.13 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.741 1.216 . . . . 0.0 112.664 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -59.67 -39.33 84.1 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.242 -0.912 . . . . 0.0 110.942 177.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.8 -20.91 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 125.188 1.395 . . . . 0.0 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.66 -44.49 18.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.915 -1.116 . . . . 0.0 112.35 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.54 -18.99 39.7 Favored Glycine 0 CA--C 1.539 1.549 0 O-C-N 121.817 -0.552 . . . . 0.0 112.724 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.42 -29.37 68.84 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 118.055 0.927 . . . . 0.0 111.998 172.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.03 -35.71 42.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 113.02 170.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.82 -58.44 3.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.833 0.853 . . . . 0.0 111.57 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.74 -35.39 14.92 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.593 1.557 . . . . 0.0 113.013 -174.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.2 t60 61.63 94.41 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.013 2.125 . . . . 0.0 114.914 -173.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.26 58.82 2.49 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.839 2.055 . . . . 0.0 112.876 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -154.93 84.86 1.09 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.287 1.435 . . . . 0.0 109.641 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.5 -26.73 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 120.48 -1.387 . . . . 0.0 111.177 -171.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -57.82 -4.23 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.731 2.813 . . . . 0.0 114.594 170.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -118.09 -33.45 4.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.209 1.404 . . . . 0.0 112.117 172.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.39 -32.19 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.858 0.863 . . . . 0.0 112.911 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -25.9 60.51 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -71.63 -40.23 69.89 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.858 0.863 . . . . 0.0 112.519 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.95 -41.65 61.7 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.36 0.664 . . . . 0.0 112.05 -167.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.79 -20.99 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 125.264 1.425 . . . . 0.0 113.49 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 CA-C-N 119.289 0.95 . . . . 0.0 115.201 169.199 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.96 -49.08 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 125.308 1.443 . . . . 0.0 114.804 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.73 -37.29 79.34 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.657 1.983 . . . . 0.0 112.488 177.151 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -65.06 -37.97 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.306 -0.871 . . . . 0.0 110.029 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -37.34 71.94 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.717 1.207 . . . . 0.0 112.563 -177.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -81.14 -45.85 15.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.166 1.386 . . . . 0.0 113.285 174.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -33.22 73.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.057 0.844 . . . . 0.0 113.209 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.56 -58.84 5.49 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 124.021 0.928 . . . . 0.0 110.473 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -44.59 -28.2 0.56 Allowed 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 175.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -65.35 -37.09 86.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 117.258 -1.353 . . . . 0.0 114.441 172.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -44.27 84.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.311 1.414 . . . . 0.0 109.554 172.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 124.652 1.181 . . . . 0.0 111.398 -174.213 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 CA-C-O 119.876 -0.402 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -66.84 -19.51 52.68 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.115 3.21 . . . . 0.0 115.982 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 tp 52.16 40.42 28.72 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.639 1.576 . . . . 0.0 112.823 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.07 1.94 28.89 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 116.735 1.454 . . . . 0.0 116.735 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -64.63 137.37 57.79 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.512 1.656 . . . . 0.0 110.273 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.49 128.03 34.1 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.645 -0.66 . . . . 0.0 110.36 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -111.89 146.03 38.46 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.04 1.336 . . . . 0.0 112.014 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.7 mmt-85 -78.06 139.83 39.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.605 0.762 . . . . 0.0 109.797 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -72.75 -38.17 67.44 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 122.067 -0.396 . . . . 0.0 110.837 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -61.81 136.64 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.357 1.863 . . . . 0.0 113.438 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -64.36 160.84 18.1 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.558 2.343 . . . . 0.0 115.543 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -130.33 160.24 34.54 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 126.121 1.768 . . . . 0.0 109.451 166.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -65.0 -31.05 72.1 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.753 -1.217 . . . . 0.0 113.621 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.97 -27.14 36.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.591 1.156 . . . . 0.0 113.079 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.08 -37.67 33.32 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.857 1.263 . . . . 0.0 110.335 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CE1' ' CZ ' ' A' ' 19' ' ' PHE . 35.2 t60 -48.08 -54.31 13.59 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 126.973 2.109 . . . . 0.0 110.513 175.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -73.56 4.25 5.16 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.91 -36.22 25.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.363 1.065 . . . . 0.0 108.982 162.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.87 -35.88 58.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.495 -1.378 . . . . 0.0 111.617 171.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.469 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -70.83 -12.13 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.101 1.361 . . . . 0.0 110.871 -168.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.91 -53.13 5.51 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 126.745 2.018 . . . . 0.0 110.635 172.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.8 -22.14 25.32 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.909 0.766 . . . . 0.0 114.403 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.82 -31.35 71.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.849 1.325 . . . . 0.0 111.669 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.79 -44.19 12.69 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.793 1.637 . . . . 0.0 112.718 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 mt -69.52 -42.25 74.95 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 121.05 -1.032 . . . . 0.0 111.748 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -100.23 -19.87 16.19 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 t60 55.58 82.67 0.1 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.95 1.3 . . . . 0.0 112.887 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.24 61.7 2.45 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 125.361 1.465 . . . . 0.0 110.657 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -153.6 79.4 1.15 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 123.251 1.501 . . . . 0.0 109.796 -172.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.596 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.7 m95 -64.4 -27.8 69.25 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.556 -1.34 . . . . 0.0 111.786 -169.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.54 5.47 0.19 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.992 2.517 . . . . 0.0 114.15 171.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -123.39 -29.43 3.81 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.906 1.283 . . . . 0.0 112.423 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.3 mt -55.94 -43.52 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.535 1.134 . . . . 0.0 112.695 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -20.79 59.93 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -78.55 -30.8 47.08 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -75.28 -43.63 50.15 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 122.648 1.214 . . . . 0.0 111.491 -173.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.45 -42.22 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.684 171.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.3 110.94 2.8 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 124.848 1.213 . . . . 0.0 111.846 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.287 1.4 t 60.45 16.91 6.76 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.914 2.086 . . . . 0.0 114.892 169.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -67.78 158.0 33.44 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.777 -1.202 . . . . 0.0 112.11 172.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -87.99 160.02 18.06 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 163.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.47 -15.13 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.018 -1.051 . . . . 0.0 112.829 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.97 -55.62 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 125.614 1.566 . . . . 0.0 114.874 -171.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.94 -27.85 62.09 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.332 1.053 . . . . 0.0 111.568 177.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mt -69.54 -40.91 80.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.514 0 CA-C-O 117.618 -1.182 . . . . 0.0 110.479 176.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -66.02 -42.44 89.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.385 1.448 . . . . 0.0 111.863 -174.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.6 p -69.21 -32.89 72.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -80.76 -23.69 39.17 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.596 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -73.64 -5.03 37.91 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.415 1.578 . . . . 0.0 113.212 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.45 -37.17 13.34 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 127.584 2.353 . . . . 0.0 110.831 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -65.18 -38.63 91.12 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 117.312 -1.327 . . . . 0.0 113.16 -177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 2.0 p90 -56.6 -39.92 74.4 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.138 1.335 . . . . 0.0 111.21 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.25 -35.55 79.78 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.198 1.399 . . . . 0.0 111.481 -175.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.7 -34.28 75.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.985 0.914 . . . . 0.0 112.738 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -76.95 -24.54 52.34 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -52.0 133.66 32.63 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.324 1.05 . . . . 0.0 111.803 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -147.85 141.01 25.05 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.757 1.223 . . . . 0.0 112.778 -171.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -90.5 43.52 1.15 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.857 1.263 . . . . 0.0 113.332 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.4 p -142.12 45.53 1.66 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.573 1.549 . . . . 0.0 112.961 -175.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.385 0 CA-C-O 117.102 -1.427 . . . . 0.0 114.651 -178.723 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 CA-C-O 118.043 -1.421 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.73 156.44 48.78 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.975 3.117 . . . . 0.0 113.381 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.24 145.79 52.05 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.399 1.479 . . . . 0.0 111.706 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.86 24.86 40.06 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.463 1.03 . . . . 0.0 113.736 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -66.75 142.23 57.46 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.613 1.965 . . . . 0.0 112.645 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.63 120.27 23.07 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.751 1.621 . . . . 0.0 110.399 -176.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -68.58 150.96 47.39 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 114.184 -172.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -158.4 164.39 36.33 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 128.108 2.563 . . . . 0.0 110.883 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.11 -50.3 55.72 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.642 -0.662 . . . . 0.0 112.437 -178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -74.22 152.3 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.973 0.909 . . . . 0.0 113.439 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -63.06 150.03 43.6 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.915 0.886 . . . . 0.0 113.35 169.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 p -139.61 175.02 9.92 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.77 1.628 . . . . 0.0 111.027 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -71.46 -42.67 67.87 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.316 -0.865 . . . . 0.0 112.863 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.13 -21.02 62.25 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.654 -0.654 . . . . 0.0 112.709 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.18 -38.38 24.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.704 0.802 . . . . 0.0 110.32 173.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -41.04 70.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.31 0.644 . . . . 0.0 111.441 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.71 -26.33 33.05 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.599 1.16 . . . . 0.0 113.645 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.29 -37.77 18.22 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.752 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.61 -39.1 79.5 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.404 -0.81 . . . . 0.0 110.617 173.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.78 -24.79 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.829 1.252 . . . . 0.0 112.491 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.57 -46.27 17.63 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 123.762 0.825 . . . . 0.0 111.432 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.64 -22.0 23.7 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 123.477 0.56 . . . . 0.0 113.55 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mt -65.96 -29.13 69.47 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.451 1.126 . . . . 0.0 112.559 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.41 -30.09 19.74 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.138 1.775 . . . . 0.0 113.118 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -77.27 -58.47 3.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.035 -1.04 . . . . 0.0 110.42 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -91.7 -33.18 15.15 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -169.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.3 t60 60.05 100.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.498 2.319 . . . . 0.0 115.934 -169.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.78 60.84 3.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 127.71 2.404 . . . . 0.0 111.885 169.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.53 79.63 0.88 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.547 1.539 . . . . 0.0 109.648 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.87 -28.21 69.39 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 119.854 -1.778 . . . . 0.0 110.801 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -59.35 0.59 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.285 2.234 . . . . 0.0 114.06 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -117.18 -35.46 4.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.915 1.686 . . . . 0.0 112.561 169.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.61 -32.7 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.339 -0.85 . . . . 0.0 113.004 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -35.8 55.56 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.61 -14.21 60.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.263 1.825 . . . . 0.0 113.062 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -86.6 -54.28 4.48 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.557 -0.714 . . . . 0.0 110.77 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.7 -42.49 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 C-N-CA 123.37 0.668 . . . . 0.0 112.132 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.06 -101.93 0.15 Allowed Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.252 0.929 . . . . 0.0 113.888 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -143.15 29.54 1.46 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.886 2.474 . . . . 0.0 110.94 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -57.66 154.96 10.63 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.386 1.874 . . . . 0.0 113.894 -170.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.428 HG23 HG22 ' A' ' 43' ' ' VAL 0.335 2.9 t -83.67 23.13 1.0 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -177.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.5 t 59.26 -38.62 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 130.283 3.433 . . . . 0.0 116.715 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 41' ' ' THR . 34.4 m -54.46 -44.66 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 121.103 1.774 . . . . 0.0 115.127 -170.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.18 -37.85 88.95 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.429 1.891 . . . . 0.0 111.166 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.29 -31.8 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 123.928 0.891 . . . . 0.0 111.508 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -64.68 -47.69 77.5 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.811 1.187 . . . . 0.0 112.483 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 p -70.3 -35.97 74.02 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -32.77 66.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.181 -0.914 . . . . 0.0 113.101 171.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.62 -53.96 47.74 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 119.506 1.048 . . . . 0.0 109.803 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -46.89 -27.08 1.13 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -61.51 -36.21 79.87 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 119.822 -1.799 . . . . 0.0 113.659 171.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -41.68 90.13 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.766 1.166 . . . . 0.0 110.018 173.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -67.01 -32.8 74.27 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.2 1.0 . . . . 0.0 112.261 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.3 mt -76.14 -9.34 58.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.307 1.443 . . . . 0.0 113.556 173.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -97.3 -35.65 10.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.939 1.295 . . . . 0.0 112.984 167.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.46 136.24 57.91 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.829 1.252 . . . . 0.0 113.059 -176.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -58.38 137.24 57.39 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.682 1.193 . . . . 0.0 113.273 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -77.41 -3.93 42.76 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.691 1.996 . . . . 0.0 116.14 -172.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.7 m -58.08 130.74 48.01 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.956 1.302 . . . . 0.0 110.416 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.393 0 C-N-CA 125.77 1.628 . . . . 0.0 114.91 -168.792 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.922 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -61.52 169.14 7.13 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 124.016 3.144 . . . . 0.0 114.069 173.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.65 -43.36 69.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.321 1.048 . . . . 0.0 112.896 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.15 157.54 51.23 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.381 0.991 . . . . 0.0 113.943 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -51.6 127.03 19.21 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.928 0.891 . . . . 0.0 112.214 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -59.63 -44.96 93.3 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.425 1.09 . . . . 0.0 111.66 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -146.01 106.19 4.03 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.42 1.488 . . . . 0.0 110.54 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -148.79 81.96 1.45 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.332 1.853 . . . . 0.0 110.616 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -85.03 46.55 1.29 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.336 1.855 . . . . 0.0 112.065 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -155.72 146.14 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.364 1.466 . . . . 0.0 111.466 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -68.75 159.99 31.24 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.5 151.75 48.77 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.181 1.392 . . . . 0.0 109.722 169.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -66.92 -2.62 5.47 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.53 -17.86 13.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.03 1.732 . . . . 0.0 112.503 167.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.11 -30.6 39.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.568 1.147 . . . . 0.0 109.848 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -34.1 67.6 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.195 0.998 . . . . 0.0 112.086 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.48 -29.07 58.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.49 1.116 . . . . 0.0 112.406 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.32 -37.75 56.95 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.79 0.836 . . . . 0.0 112.446 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -39.41 77.51 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.801 -1.187 . . . . 0.0 111.005 172.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.26 -17.36 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.557 1.543 . . . . 0.0 112.232 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -81.0 -49.3 11.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 120.858 -1.151 . . . . 0.0 112.291 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.41 -21.46 34.1 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.148 0.88 . . . . 0.0 112.803 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.51 -34.03 76.07 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.802 0.801 . . . . 0.0 111.708 174.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.61 -5.45 55.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.629 1.971 . . . . 0.0 114.045 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -101.91 -54.76 2.65 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.356 1.062 . . . . 0.0 111.85 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -95.5 -22.88 17.37 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.596 1.558 . . . . 0.0 113.967 -171.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 m80 56.23 84.49 0.08 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.49 1.916 . . . . 0.0 114.533 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 tptp 70.06 48.24 0.54 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.69 1.596 . . . . 0.0 113.441 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -152.97 90.18 1.43 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.972 1.709 . . . . 0.0 109.736 -169.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -67.51 -22.34 65.45 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.657 -1.277 . . . . 0.0 112.247 -173.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.45 -3.3 4.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.27 2.628 . . . . 0.0 113.612 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -116.58 -31.21 5.6 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.772 1.229 . . . . 0.0 112.336 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.4 mt -52.69 -38.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.072 0.949 . . . . 0.0 112.791 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -32.9 51.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.32 -22.66 54.69 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.601 1.16 . . . . 0.0 113.249 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -79.21 -49.84 11.9 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.403 -0.811 . . . . 0.0 109.917 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.88 -43.41 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.594 173.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.03 112.73 3.25 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.402 1.477 . . . . 0.0 113.875 171.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.305 2.7 t 57.91 25.55 12.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 127.629 2.372 . . . . 0.0 115.665 170.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -85.35 162.51 19.03 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.662 -1.274 . . . . 0.0 112.423 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.8 t -83.38 145.94 28.74 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.389 -0.819 . . . . 0.0 110.102 166.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.27 -18.91 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 120.776 -1.203 . . . . 0.0 112.069 173.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.2 t -52.87 -52.14 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.424 1.09 . . . . 0.0 113.271 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -29.92 60.9 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.801 1.182 . . . . 0.0 112.261 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.73 -40.52 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.571 0.749 . . . . 0.0 110.679 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -59.1 -43.86 91.9 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.883 0.873 . . . . 0.0 112.198 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.0 t -57.56 -53.27 60.07 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.932 0.893 . . . . 0.0 111.432 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -38.46 84.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.628 0.771 . . . . 0.0 112.773 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.61 -9.08 57.68 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -83.32 -28.57 28.96 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 119.702 -1.874 . . . . 0.0 111.422 165.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -74.51 -36.18 63.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -54.34 -36.07 63.41 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.256 0.934 . . . . 0.0 111.713 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -67.82 -25.13 65.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.18 0.992 . . . . 0.0 112.07 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.79 -31.79 65.12 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.835 1.254 . . . . 0.0 112.696 173.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -86.24 -27.05 24.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.273 1.029 . . . . 0.0 112.842 174.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.9 tp -70.25 114.82 8.76 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.0 1.32 . . . . 0.0 111.767 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.55 136.47 57.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.122 0.569 . . . . 0.0 111.914 174.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.54 147.41 51.47 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.536 1.134 . . . . 0.0 113.841 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.6 p -88.6 155.98 19.31 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.517 2.327 . . . . 0.0 113.189 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.403 0 C-N-CA 124.373 1.069 . . . . 0.0 112.599 171.587 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.093 0 CA-C-O 118.8 -1.0 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.9 153.74 30.0 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 124.281 3.321 . . . . 0.0 116.632 -169.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.98 136.6 40.01 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.61 1.964 . . . . 0.0 111.834 174.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.83 -178.59 42.44 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 124.35 0.976 . . . . 0.0 115.467 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -151.56 160.08 43.83 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.082 1.753 . . . . 0.0 109.675 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -136.19 149.95 48.81 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -141.34 -19.4 0.78 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.088 2.555 . . . . 0.0 113.548 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 tpt85 -150.78 143.59 24.56 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.479 1.036 . . . . 0.0 111.787 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -76.63 -2.24 31.7 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.109 1.763 . . . . 0.0 114.855 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.77 163.5 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 127.347 2.259 . . . . 0.0 110.587 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -58.63 143.8 45.21 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.37 0.986 . . . . 0.0 113.39 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 p -143.11 161.84 37.13 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.847 1.659 . . . . 0.0 110.918 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -72.13 -1.51 15.16 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.9 -22.12 13.89 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.116 1.366 . . . . 0.0 111.694 168.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -85.54 -27.98 25.21 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 120.658 -1.277 . . . . 0.0 111.363 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -39.08 51.68 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.579 -0.701 . . . . 0.0 110.802 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.88 -26.89 62.72 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.564 1.546 . . . . 0.0 113.607 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -76.05 -45.34 34.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 127.558 2.343 . . . . 0.0 111.987 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.73 -39.07 76.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.324 0.65 . . . . 0.0 110.249 177.739 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.73 -21.38 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.221 1.008 . . . . 0.0 112.313 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.47 -47.74 25.81 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.615 -1.303 . . . . 0.0 111.276 174.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.49 -22.13 30.27 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-O 119.623 -0.543 . . . . 0.0 113.396 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.33 -27.9 66.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.81 1.305 . . . . 0.0 112.153 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.02 24.89 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.783 1.633 . . . . 0.0 113.638 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.1 mt -87.2 -56.36 3.41 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.143 0.883 . . . . 0.0 111.953 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -94.82 -30.24 14.32 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.613 1.565 . . . . 0.0 113.881 -173.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 t60 50.87 103.26 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.155 2.182 . . . . 0.0 115.379 -169.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.0 56.88 6.52 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.162 2.185 . . . . 0.0 112.295 170.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -153.83 80.23 1.15 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.77 1.271 . . . . 0.0 109.628 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -65.35 -27.73 68.79 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.596 -1.315 . . . . 0.0 111.482 -169.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -56.88 -5.47 0.24 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.074 2.149 . . . . 0.0 114.426 171.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -115.69 -29.74 6.35 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.293 1.406 . . . . 0.0 112.575 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.44 -35.77 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.663 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -25.15 64.49 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.66 -39.12 64.67 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.382 0.673 . . . . 0.0 112.494 171.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -68.84 -41.05 79.05 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.246 1.022 . . . . 0.0 113.177 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.12 -19.49 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 126.151 1.78 . . . . 0.0 113.794 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.72 48.41 0.07 OUTLIER Glycine 0 CA--C 1.534 1.228 0 N-CA-C 116.509 1.363 . . . . 0.0 116.509 170.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m 51.09 39.54 23.57 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.84 1.656 . . . . 0.0 114.086 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -80.51 -176.67 5.84 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.424 1.49 . . . . 0.0 112.451 172.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.68 155.67 20.29 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.252 1.021 . . . . 0.0 110.405 167.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.32 -18.81 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 125.307 1.443 . . . . 0.0 113.661 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.26 -41.57 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -168.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.559 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -86.45 -29.98 22.4 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.043 1.737 . . . . 0.0 111.879 177.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -64.25 -31.92 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.816 0.846 . . . . 0.0 111.106 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -56.78 -49.13 76.24 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.156 1.382 . . . . 0.0 113.253 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 p -78.12 -35.83 48.62 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -38.74 91.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.46 0.704 . . . . 0.0 111.697 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.77 -59.86 3.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.262 0.625 . . . . 0.0 111.365 173.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -50.67 -16.73 0.42 Allowed 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -66.1 -36.39 83.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 120.216 1.371 . . . . 0.0 112.58 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -43.42 77.97 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.652 1.115 . . . . 0.0 109.706 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -67.88 -24.72 65.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.314 1.446 . . . . 0.0 113.206 -174.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.73 -34.38 40.03 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.89 1.276 . . . . 0.0 112.922 170.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -80.37 -32.3 37.67 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 mt -54.2 143.72 22.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.337 1.055 . . . . 0.0 112.567 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -156.47 148.72 23.3 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -66.21 161.63 21.69 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.311 1.444 . . . . 0.0 112.642 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.7 p -70.76 123.52 22.12 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.578 0.704 . . . . 0.0 111.216 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.398 0 C-N-CA 125.676 1.591 . . . . 0.0 112.841 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.996 0 CA-C-O 117.767 -1.574 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -58.68 -31.7 95.34 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 124.058 3.172 . . . . 0.0 116.031 -172.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -130.56 147.79 52.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.059 1.744 . . . . 0.0 110.655 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.59 26.69 68.66 Favored Glycine 0 CA--C 1.539 1.589 0 O-C-N 121.507 -0.746 . . . . 0.0 113.19 -169.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -57.39 -21.6 37.24 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.62 1.968 . . . . 0.0 115.697 -167.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.76 -16.62 63.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.247 1.019 . . . . 0.0 113.659 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -77.78 136.37 38.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.066 0.946 . . . . 0.0 110.537 170.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -92.14 160.17 15.32 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.794 1.238 . . . . 0.0 113.857 -172.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.37 -40.1 15.75 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.885 0.874 . . . . 0.0 110.916 169.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.0 t -68.57 146.67 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 126.568 1.947 . . . . 0.0 110.856 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -56.99 145.15 31.29 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -133.57 167.92 19.6 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.897 1.679 . . . . 0.0 110.596 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.58 -45.58 82.7 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.785 -1.197 . . . . 0.0 112.555 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -18.53 64.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -84.22 -39.15 19.66 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.702 -1.249 . . . . 0.0 110.795 171.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -42.18 79.97 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.116 -0.99 . . . . 0.0 111.417 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.02 -9.87 1.57 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.774 1.63 . . . . 0.0 115.093 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -100.38 -34.99 9.74 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.965 1.306 . . . . 0.0 112.284 169.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -60.33 -39.92 88.79 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.387 -1.445 . . . . 0.0 110.494 179.48 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.5 -13.81 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.745 1.218 . . . . 0.0 113.509 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.9 -47.9 9.23 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.445 1.498 . . . . 0.0 111.413 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.12 -19.99 18.61 Favored Glycine 0 CA--C 1.532 1.122 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.605 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.39 -40.64 95.1 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.902 1.351 . . . . 0.0 111.072 172.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.78 58.94 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.529 1.532 . . . . 0.0 113.894 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.7 mt -86.71 -55.21 3.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.996 1.318 . . . . 0.0 111.762 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -96.47 -24.73 15.96 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.413 1.485 . . . . 0.0 113.825 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 59.74 85.56 0.1 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.194 1.398 . . . . 0.0 113.697 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? 57.39 58.4 3.86 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.634 1.574 . . . . 0.0 111.828 173.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -155.72 85.28 1.04 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 123.609 1.671 . . . . 0.0 109.546 -169.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -67.14 -26.37 66.63 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.462 -1.399 . . . . 0.0 111.401 -171.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 34.3 mmtt -57.24 -2.85 0.12 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.929 2.092 . . . . 0.0 114.736 169.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -121.27 -30.57 4.27 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.621 1.1 . . . . 0.0 112.491 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.5 mt -54.24 -36.84 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -59.09 -27.33 65.46 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.51 -49.06 72.81 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.338 1.055 . . . . 0.0 110.972 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -72.18 -40.62 67.8 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.896 1.278 . . . . 0.0 111.636 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mm -65.83 -15.25 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 126.411 1.884 . . . . 0.0 113.698 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.64 50.64 0.27 Allowed Glycine 0 N--CA 1.477 1.415 0 C-N-CA 125.249 1.404 . . . . 0.0 115.999 168.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.9 m 55.15 36.56 27.26 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.96 1.704 . . . . 0.0 113.49 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -79.36 -179.97 7.09 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.33 1.852 . . . . 0.0 112.745 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 p -78.36 165.66 23.57 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.804 -1.185 . . . . 0.0 111.187 166.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t -93.61 -20.6 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.588 -1.32 . . . . 0.0 113.621 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.5 t -50.42 -53.91 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 120.082 1.31 . . . . 0.0 113.515 -171.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.602 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.03 -34.44 78.03 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.502 1.921 . . . . 0.0 112.517 175.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.56 -35.45 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.223 -0.923 . . . . 0.0 111.206 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.76 -51.68 68.57 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.277 0.631 . . . . 0.0 112.318 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -71.81 -30.49 65.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.71 0.804 . . . . 0.0 113.073 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -37.84 43.96 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.1 -56.21 15.9 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 124.198 0.999 . . . . 0.0 110.292 174.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -45.69 -23.06 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -68.63 -34.76 76.29 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.0 1.273 . . . . 0.0 113.762 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.98 -42.46 85.14 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.451 1.478 . . . . 0.0 109.915 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.86 -44.16 77.77 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.131 0.973 . . . . 0.0 112.935 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.9 -9.87 58.56 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -77.35 -27.32 52.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.819 1.247 . . . . 0.0 113.011 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.49 130.55 47.16 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.984 1.314 . . . . 0.0 112.042 -174.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 m120 55.02 29.53 12.52 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -68.84 -27.09 65.52 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.069 -1.019 . . . . 0.0 113.461 175.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.8 m -71.28 132.36 44.81 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.854 1.262 . . . . 0.0 111.614 -173.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 C-N-CA 125.56 1.544 . . . . 0.0 113.827 -175.4 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.95 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.18 -38.69 1.41 Allowed 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.544 2.83 . . . . 0.0 112.474 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.4 144.12 32.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.349 1.86 . . . . 0.0 113.488 -175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.75 46.13 95.08 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 123.064 0.364 . . . . 0.0 113.048 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -67.48 137.12 55.58 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.755 -0.85 . . . . 0.0 112.616 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.6 140.38 21.78 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 169.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.32 166.19 18.88 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.876 1.67 . . . . 0.0 113.06 177.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -116.46 -51.92 2.59 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.667 1.587 . . . . 0.0 111.99 168.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -125.78 -31.24 2.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.76 1.624 . . . . 0.0 113.403 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.0 162.39 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.142 0.977 . . . . 0.0 113.151 -177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -79.94 159.77 26.2 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.27 158.09 45.26 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.637 1.575 . . . . 0.0 109.907 168.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.05 -5.16 16.11 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.29 -21.75 13.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 0.0 112.455 168.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.31 -31.7 26.72 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.196 -0.94 . . . . 0.0 110.808 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -36.82 64.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 111.018 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.48 45.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.997 1.319 . . . . 0.0 113.058 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.03 -36.16 61.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.54 1.136 . . . . 0.0 113.465 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.14 79.68 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.407 0.683 . . . . 0.0 110.306 172.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.4 t -67.52 -13.76 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.391 1.476 . . . . 0.0 112.495 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.81 -47.83 9.35 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.332 -1.48 . . . . 0.0 112.022 173.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.18 -22.4 21.58 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-N 118.429 0.559 . . . . 0.0 113.531 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -63.82 -30.41 71.51 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.319 1.06 . . . . 0.0 112.335 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 -14.26 30.58 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.485 1.914 . . . . 0.0 114.153 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.0 mt -94.5 -51.73 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.343 1.057 . . . . 0.0 111.587 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.03 -29.12 14.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.238 1.415 . . . . 0.0 113.385 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 55.3 86.48 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.987 1.315 . . . . 0.0 113.354 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tptm 60.1 70.98 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.143 1.777 . . . . 0.0 111.02 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -161.47 80.76 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.576 1.55 . . . . 0.0 110.688 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.444 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.2 m95 -65.97 -31.5 72.45 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 120.125 -1.609 . . . . 0.0 111.331 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -1.93 0.19 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.518 2.727 . . . . 0.0 114.371 170.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -111.25 -34.9 6.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.025 1.33 . . . . 0.0 111.536 166.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.8 mt -54.83 -33.8 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.504 1.122 . . . . 0.0 113.257 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -27.09 62.2 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -79.27 -22.47 44.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.474 1.109 . . . . 0.0 113.921 175.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -81.52 -48.33 11.96 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.384 0.612 . . . . 0.0 109.872 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.82 -38.1 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.516 0.726 . . . . 0.0 111.632 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.63 8.6 58.25 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.84 1.209 . . . . 0.0 115.674 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -64.57 -27.93 69.29 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.322 1.561 . . . . 0.0 113.437 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 61.08 6.05 1.18 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -169.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -133.93 134.56 42.76 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.906 1.282 . . . . 0.0 112.579 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -90.82 -14.88 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.856 2.062 . . . . 0.0 112.808 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.12 -50.17 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 120.436 1.471 . . . . 0.0 113.392 -170.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.612 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.51 -34.27 69.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.283 1.433 . . . . 0.0 112.321 174.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.16 -39.46 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.079 0.952 . . . . 0.0 110.805 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -55.8 -49.62 72.7 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.136 1.374 . . . . 0.0 111.317 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -67.1 -40.75 86.97 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.384 1.074 . . . . 0.0 112.411 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -36.18 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 172.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -70.88 -3.83 21.17 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.46 -1.4 . . . . 0.0 114.439 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -88.98 -27.85 20.62 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 126.44 1.896 . . . . 0.0 111.928 165.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -68.27 -43.69 77.2 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.018 1.327 . . . . 0.0 112.767 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -54.09 -37.86 64.7 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.948 0.795 . . . . 0.0 111.227 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -66.77 -29.53 69.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.38 1.472 . . . . 0.0 111.979 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.7 mt -75.04 -25.17 58.5 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.793 1.637 . . . . 0.0 113.121 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -81.25 -18.27 46.56 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.646 1.178 . . . . 0.0 113.513 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.2 mt -69.19 143.04 54.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.581 1.152 . . . . 0.0 110.95 170.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -64.24 134.1 54.09 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.438 1.095 . . . . 0.0 111.222 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -62.51 -30.76 71.51 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 121.258 -0.901 . . . . 0.0 112.265 174.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.306 1.0 OUTLIER 51.55 28.22 4.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 128.688 2.795 . . . . 0.0 114.502 173.475 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.349 0 C-N-CA 127.019 2.128 . . . . 0.0 115.036 -169.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.9 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -65.4 -16.5 54.54 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.758 2.972 . . . . 0.0 116.578 -170.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -145.08 160.87 40.72 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.052 1.741 . . . . 0.0 111.678 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.25 159.37 18.88 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.027 1.775 . . . . 0.0 113.111 171.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -165.33 155.31 13.12 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.824 1.65 . . . . 0.0 110.228 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -72.53 -6.14 41.88 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -123.2 171.26 9.48 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.558 1.943 . . . . 0.0 111.253 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ttp85 -75.2 24.36 0.1 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.935 1.294 . . . . 0.0 112.949 174.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -75.24 -15.28 60.55 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.139 2.176 . . . . 0.0 113.658 -170.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.39 174.94 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 127.116 2.166 . . . . 0.0 110.781 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -52.9 145.78 12.02 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 p -135.22 160.31 38.78 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.648 1.179 . . . . 0.0 112.939 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -72.46 23.2 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.762 1.625 . . . . 0.0 114.38 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.26 -17.27 0.92 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.666 1.987 . . . . 0.0 112.852 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -87.95 -39.94 14.32 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.033 0.933 . . . . 0.0 109.553 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.12 78.89 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.616 -0.677 . . . . 0.0 111.748 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -11.4 1.84 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.252 1.821 . . . . 0.0 114.878 173.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -90.07 -41.64 11.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.14 1.776 . . . . 0.0 111.448 171.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -39.48 75.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.004 -1.06 . . . . 0.0 110.742 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.63 -12.87 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.09 2.156 . . . . 0.0 113.351 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.98 -48.5 6.95 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.035 1.334 . . . . 0.0 112.116 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.84 -20.79 27.42 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 118.427 0.558 . . . . 0.0 113.581 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -61.98 -33.04 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.323 1.061 . . . . 0.0 112.004 172.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.98 -6.52 55.56 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.423 1.889 . . . . 0.0 114.524 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -105.26 -53.43 2.66 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.119 1.368 . . . . 0.0 112.224 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -95.96 -22.46 17.39 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.638 1.175 . . . . 0.0 113.598 -174.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 56.89 82.5 0.12 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.695 1.998 . . . . 0.0 113.768 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 57.45 66.33 1.17 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.5 2.32 . . . . 0.0 111.978 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -155.37 79.47 1.03 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.282 1.433 . . . . 0.0 108.075 -170.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.436 ' CH2' ' HB1' ' A' ' 49' ' ' ALA . 3.5 m95 -65.57 -29.68 70.33 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.648 -1.283 . . . . 0.0 110.222 -171.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -58.36 5.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 129.361 3.065 . . . . 0.0 114.954 170.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -124.69 -34.59 2.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.952 1.701 . . . . 0.0 112.595 168.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 54.3 mt -54.74 -38.28 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 119.409 1.004 . . . . 0.0 112.969 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -33.01 22.02 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -76.39 -24.09 54.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.788 1.235 . . . . 0.0 113.501 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -81.28 -43.42 19.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.997 -176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.36 -39.71 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.529 1.132 . . . . 0.0 110.23 170.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.2 102.98 2.25 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.089 0.852 . . . . 0.0 113.984 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.5 m 64.5 19.04 11.67 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.039 1.336 . . . . 0.0 114.597 167.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -81.29 166.78 20.21 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.254 -1.529 . . . . 0.0 112.77 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 p -79.49 170.26 16.84 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 165.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -81.6 -16.95 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.4 -1.438 . . . . 0.0 112.813 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.48 -48.95 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.946 -1.096 . . . . 0.0 113.562 -169.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -35.91 81.02 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 111.801 175.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.1 -33.44 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -58.15 -37.15 74.1 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.987 1.267 . . . . 0.0 112.187 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -68.97 -51.43 39.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.686 1.995 . . . . 0.0 111.986 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -31.12 34.76 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.741 -0.6 . . . . 0.0 112.506 -177.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' HB1' ' CH2' ' A' ' 30' ' ' TRP . . . -70.51 -6.12 33.88 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -87.3 -32.65 19.56 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.482 -1.386 . . . . 0.0 110.682 164.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -67.84 -34.7 77.22 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 117.378 -1.296 . . . . 0.0 114.385 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.43 -41.5 72.87 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.108 1.322 . . . . 0.0 110.935 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -69.0 -30.58 69.01 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.307 1.043 . . . . 0.0 112.617 -173.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.96 -27.31 66.49 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.647 0.779 . . . . 0.0 112.426 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -94.22 -37.33 11.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.506 1.522 . . . . 0.0 112.575 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.46 144.74 55.6 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.727 1.611 . . . . 0.0 113.199 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -152.04 146.48 25.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.577 0.751 . . . . 0.0 110.152 165.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -55.29 -17.46 4.69 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 117.259 2.318 . . . . 0.0 117.259 -172.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.7 p -79.86 -18.96 49.45 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -172.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.212 0 C-N-CA 127.971 2.508 . . . . 0.0 115.505 172.573 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.991 0 CA-C-O 119.017 -0.88 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -62.68 147.1 95.2 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.134 2.556 . . . . 0.0 110.761 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.6 mt 58.24 12.76 2.05 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 114.376 -173.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.5 11.08 64.52 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.71 1.624 . . . . 0.0 116.125 175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -65.46 -46.55 79.41 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.183 1.492 . . . . 0.0 114.288 -168.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -74.19 111.45 9.37 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.729 1.15 . . . . 0.0 112.581 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -88.45 -19.48 26.44 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.193 1.397 . . . . 0.0 112.929 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -142.43 172.52 12.57 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.969 2.507 . . . . 0.0 110.061 169.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -135.98 150.85 49.41 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.675 -0.641 . . . . 0.0 112.672 -177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.83 115.43 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.67 1.588 . . . . 0.0 108.775 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.3 m95 -65.98 153.47 42.04 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.158 0.983 . . . . 0.0 112.733 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -136.83 166.04 24.55 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.948 1.299 . . . . 0.0 110.113 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -73.65 -27.08 61.07 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.097 -1.002 . . . . 0.0 112.936 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.98 -23.71 52.3 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.206 1.003 . . . . 0.0 113.118 170.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -86.21 -39.82 16.22 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.193 0.906 . . . . 0.0 110.106 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.66 76.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.259 -0.901 . . . . 0.0 112.031 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.46 -16.02 8.42 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.1 -45.53 13.87 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.361 1.437 . . . . 0.0 112.09 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.13 -38.15 73.05 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.234 -0.916 . . . . 0.0 111.678 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.5 -19.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.496 1.119 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -81.23 -43.18 19.62 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.943 -1.098 . . . . 0.0 112.049 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.35 -20.51 29.84 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.177 175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.78 -17.64 62.78 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.898 1.349 . . . . 0.0 113.313 173.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.11 -23.47 17.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.662 1.585 . . . . 0.0 113.214 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.93 -57.27 3.1 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.342 1.057 . . . . 0.0 111.952 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -98.7 -8.93 25.33 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.601 1.56 . . . . 0.0 113.35 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 m80 67.69 -56.62 0.47 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.437 2.695 . . . . 0.0 116.232 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tmtp? -163.83 64.61 0.16 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.185 1.394 . . . . 0.0 111.55 -173.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -155.98 95.06 1.59 Allowed 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.843 1.257 . . . . 0.0 109.901 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -65.81 -25.17 67.11 Favored 'General case' 0 N--CA 1.452 -0.325 0 O-C-N 120.805 -1.184 . . . . 0.0 110.455 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -59.16 -5.3 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.738 1.615 . . . . 0.0 113.783 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -116.6 -30.61 5.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.906 1.683 . . . . 0.0 112.185 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.3 mt -57.74 -29.67 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.679 -1.263 . . . . 0.0 113.025 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -28.71 62.35 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 175.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.54 -34.19 69.81 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.781 1.633 . . . . 0.0 112.642 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -76.57 -44.93 32.62 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 121.64 -0.663 . . . . 0.0 110.621 -171.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.5 -23.71 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 124.185 0.994 . . . . 0.0 111.606 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.26 20.49 78.94 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.614 -1.303 . . . . 0.0 114.518 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.1 t -90.32 -13.15 35.78 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.298 1.439 . . . . 0.0 113.368 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 65.1 -4.57 0.49 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 117.464 2.394 . . . . 0.0 117.464 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.0 p -123.47 150.18 44.19 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.488 1.515 . . . . 0.0 113.048 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -101.39 -17.38 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.875 1.27 . . . . 0.0 112.344 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 m -54.2 -43.9 62.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -170.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.573 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -70.52 -41.13 72.99 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.361 1.864 . . . . 0.0 112.728 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.38 -31.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.685 0.794 . . . . 0.0 111.982 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -62.47 -45.28 93.76 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.856 0.753 . . . . 0.0 112.983 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.8 m -77.97 -37.25 47.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.467 1.107 . . . . 0.0 112.989 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -29.92 62.69 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -54.44 -56.84 14.61 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 119.417 1.008 . . . . 0.0 109.805 174.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -48.04 -28.16 2.67 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 173.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -61.17 -36.66 80.43 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 117.452 -1.261 . . . . 0.0 112.866 171.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -39.44 70.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.56 1.527 . . . . 0.0 111.227 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -71.18 -29.16 64.83 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.364 1.066 . . . . 0.0 112.231 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.1 mt -79.61 -33.32 41.64 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.042 0.937 . . . . 0.0 113.515 172.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -71.69 -28.09 63.48 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.895 0.878 . . . . 0.0 112.226 169.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 tp -68.35 151.52 46.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.512 1.525 . . . . 0.0 111.741 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -59.15 137.38 57.98 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -171.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.53 153.1 42.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.333 1.053 . . . . 0.0 111.06 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.3 m -56.85 140.71 47.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.59 1.156 . . . . 0.0 111.642 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.422 0 CA-C-O 117.426 -1.274 . . . . 0.0 113.353 -177.505 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.034 0 CA-C-O 119.883 -0.398 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.37 -5.89 10.12 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 124.348 3.365 . . . . 0.0 116.474 -169.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -149.88 144.58 26.02 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.43 1.468 . . . . 0.0 113.101 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.65 -164.73 39.48 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.138 1.828 . . . . 0.0 114.582 -177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 m -68.44 164.92 19.96 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.669 1.188 . . . . 0.0 113.563 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -61.98 129.16 39.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.201 1.001 . . . . 0.0 112.374 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -68.66 163.16 24.44 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.345 1.858 . . . . 0.0 113.159 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -117.16 144.92 44.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.773 1.229 . . . . 0.0 113.191 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -75.95 -37.78 58.29 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.648 1.179 . . . . 0.0 112.761 174.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -78.55 150.09 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.502 1.121 . . . . 0.0 112.103 176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -59.34 142.44 52.12 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.14 0.971 . . . . 0.0 113.172 170.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t -151.51 156.46 40.6 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.374 1.87 . . . . 0.0 109.192 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -57.12 -37.17 71.59 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 120.518 1.508 . . . . 0.0 114.257 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.23 66.2 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.593 -0.692 . . . . 0.0 112.595 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.91 -41.55 13.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.413 1.085 . . . . 0.0 111.168 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -37.36 72.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.17 -27.22 13.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.877 1.271 . . . . 0.0 113.917 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -89.98 -32.33 16.84 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.276 1.43 . . . . 0.0 113.244 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.53 -39.96 81.62 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.338 -0.851 . . . . 0.0 111.176 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -62.82 -19.66 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.644 1.178 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -85.78 -44.09 12.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.131 -0.981 . . . . 0.0 113.247 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.95 -18.74 34.47 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 118.983 0.81 . . . . 0.0 113.438 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.41 -37.08 84.43 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.959 0.879 . . . . 0.0 111.33 170.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.53 60.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.901 1.28 . . . . 0.0 113.391 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -83.89 -54.86 4.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.884 1.273 . . . . 0.0 111.822 -171.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.53 -26.86 19.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.393 1.477 . . . . 0.0 113.232 -173.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 t60 51.11 98.71 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.006 2.123 . . . . 0.0 114.686 -170.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? 57.35 56.53 5.03 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.79 1.636 . . . . 0.0 112.182 168.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -152.89 81.72 1.21 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.347 1.059 . . . . 0.0 110.562 -172.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -62.37 -26.48 68.48 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.951 -1.093 . . . . 0.0 112.284 -170.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.16 3.3 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 128.841 2.856 . . . . 0.0 115.076 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -120.6 -33.05 3.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.98 1.312 . . . . 0.0 111.548 169.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.4 mt -56.09 -36.71 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.837 0.855 . . . . 0.0 112.767 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -35.35 16.81 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.74 -21.52 37.86 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -80.48 -38.94 28.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.125 0.964 . . . . 0.0 112.008 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.67 -34.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.066 1.346 . . . . 0.0 113.544 170.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.84 -104.8 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 CA-C-N 119.192 0.906 . . . . 0.0 114.033 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -148.52 17.14 1.03 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.946 1.698 . . . . 0.0 112.628 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -57.82 156.24 9.15 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.821 1.649 . . . . 0.0 112.159 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -76.49 154.67 34.46 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.926 -1.108 . . . . 0.0 109.764 168.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -74.43 -3.37 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 119.956 -1.715 . . . . 0.0 114.831 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -52.59 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 124.894 1.278 . . . . 0.0 114.362 -172.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.578 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.48 -34.04 69.83 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.768 1.227 . . . . 0.0 110.661 175.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.15 -40.95 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.072 0.949 . . . . 0.0 110.687 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -63.24 -38.31 90.66 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.345 1.458 . . . . 0.0 112.876 -174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.9 t -75.03 -47.62 28.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.872 2.469 . . . . 0.0 112.845 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -33.77 74.55 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.758 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.14 -58.27 6.55 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 123.718 0.807 . . . . 0.0 110.32 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -48.1 -24.82 1.22 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.97 -29.31 69.69 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.941 1.246 . . . . 0.0 114.278 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -37.86 72.27 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.449 1.477 . . . . 0.0 112.207 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -67.5 -28.82 68.16 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.6 mt -53.16 -38.46 62.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.126 0.57 . . . . 0.0 112.469 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -64.02 -44.95 91.03 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.918 0.887 . . . . 0.0 111.871 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -76.01 -27.32 57.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.807 1.243 . . . . 0.0 114.324 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -62.1 143.24 56.94 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.112 0.965 . . . . 0.0 112.14 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.31 124.96 22.59 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.762 0.825 . . . . 0.0 111.852 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.4 t -67.14 -24.65 65.92 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -171.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 127.015 2.126 . . . . 0.0 112.893 173.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.71 -12.23 26.49 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.725 2.95 . . . . 0.0 115.707 -175.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.52 126.39 33.81 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.394 1.452 . . . . 0.0 111.763 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 -175.36 34.2 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 126.079 1.799 . . . . 0.0 114.05 171.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -165.52 148.23 7.78 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.824 1.65 . . . . 0.0 110.489 174.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -71.91 -19.46 61.92 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -99.3 138.31 36.58 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.109 1.764 . . . . 0.0 111.883 -177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -77.18 52.74 0.93 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.669 1.188 . . . . 0.0 112.665 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.56 152.02 37.81 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.132 -0.98 . . . . 0.0 113.404 -173.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.53 152.97 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 126.124 1.77 . . . . 0.0 114.103 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -54.56 149.75 10.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.931 1.693 . . . . 0.0 113.117 171.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.8 159.96 40.28 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.067 1.347 . . . . 0.0 110.396 170.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -69.79 -5.56 26.29 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.85 -22.67 17.32 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.062 -1.024 . . . . 0.0 111.846 167.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.88 -36.02 14.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.697 1.599 . . . . 0.0 111.126 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -33.05 65.05 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.518 1.527 . . . . 0.0 111.286 175.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.87 -27.62 44.02 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.754 1.222 . . . . 0.0 113.034 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.91 -36.16 49.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.89 -42.01 75.33 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.249 0.62 . . . . 0.0 110.831 170.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.45 -19.58 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.976 0.911 . . . . 0.0 112.581 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -82.35 -42.12 19.12 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.232 -0.918 . . . . 0.0 112.731 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.88 -19.25 49.56 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-O 119.435 -0.647 . . . . 0.0 112.6 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.25 -13.0 61.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.192 1.496 . . . . 0.0 112.986 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.16 -4.86 25.16 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.483 1.913 . . . . 0.0 114.042 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -107.66 -55.42 2.36 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.975 1.31 . . . . 0.0 111.775 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -102.23 -10.7 19.33 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.317 2.247 . . . . 0.0 113.192 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 m80 68.32 -61.52 0.39 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.83 2.452 . . . . 0.0 115.994 176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.76 58.43 0.43 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.943 1.297 . . . . 0.0 111.312 -169.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -156.19 89.77 1.16 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 123.073 1.416 . . . . 0.0 110.192 -172.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -65.72 -25.62 67.38 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.105 -0.997 . . . . 0.0 111.266 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -4.5 2.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.495 1.918 . . . . 0.0 113.601 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -114.54 -32.4 5.9 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.673 1.124 . . . . 0.0 112.064 171.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.03 -30.75 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.906 1.282 . . . . 0.0 112.412 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -31.91 28.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 169.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -82.02 -16.03 51.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.136 0.974 . . . . 0.0 113.55 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -82.44 -47.99 11.6 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.55 -0.719 . . . . 0.0 111.017 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.53 -32.45 36.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.313 1.045 . . . . 0.0 112.152 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.06 22.27 33.21 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.648 1.118 . . . . 0.0 114.677 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 p -77.77 -27.9 50.42 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.189 1.495 . . . . 0.0 113.859 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 66.29 -47.21 0.43 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.47 2.308 . . . . 0.0 114.734 -168.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 p -78.22 148.01 34.18 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.851 2.46 . . . . 0.0 113.465 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -112.89 -22.23 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.456 1.502 . . . . 0.0 114.547 -168.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.66 -38.48 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -171.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -69.41 -31.37 69.69 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.176 1.791 . . . . 0.0 113.137 171.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.2 mt -69.03 -39.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.792 -1.192 . . . . 0.0 110.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -54.23 -49.91 68.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.57 1.548 . . . . 0.0 112.464 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.4 p -75.97 -36.13 59.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.9 1.28 . . . . 0.0 113.333 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -32.32 70.35 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 172.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -56.45 -55.4 34.07 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.103 0.865 . . . . 0.0 110.655 -177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -44.09 -29.22 0.58 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -63.56 -32.43 73.89 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.727 -1.233 . . . . 0.0 113.879 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.23 -41.63 89.14 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.146 1.339 . . . . 0.0 110.748 171.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -72.92 -41.04 64.97 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.05 1.34 . . . . 0.0 112.044 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.9 mt -62.29 -41.72 98.74 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.26 1.024 . . . . 0.0 112.402 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -74.69 -31.45 61.9 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.38 -35.07 79.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.728 1.211 . . . . 0.0 112.26 172.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -54.77 128.27 32.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.148 0.579 . . . . 0.0 111.361 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt 60.91 -7.97 0.08 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 -177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.8 m -82.66 123.71 29.52 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 120.014 1.279 . . . . 0.0 112.417 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 C-N-CA 128.121 2.568 . . . . 0.0 116.062 169.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.028 0 CA-C-O 119.506 -0.608 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.87 151.82 81.58 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 125.296 3.997 . . . . 0.0 113.248 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.5 mt -136.79 177.54 7.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.774 1.629 . . . . 0.0 112.446 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.36 -122.22 17.54 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.271 0.938 . . . . 0.0 111.695 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -72.23 -18.24 61.84 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 50.07 23.36 1.11 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.127 2.171 . . . . 0.0 114.054 -170.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -87.57 140.1 29.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.482 1.113 . . . . 0.0 112.801 -169.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -66.46 -7.15 17.67 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -170.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -71.77 -26.09 62.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.689 1.196 . . . . 0.0 114.134 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 m -130.49 170.43 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 C-N-CA 125.406 1.482 . . . . 0.0 113.554 -168.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' CD1' ' CD2' ' A' ' 48' ' ' HIS . 51.5 m95 -66.35 157.32 32.07 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -171.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -135.76 164.63 27.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.723 2.009 . . . . 0.0 110.337 168.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -59.09 -12.54 5.05 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.84 5.33 3.63 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.305 1.842 . . . . 0.0 113.523 173.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.08 -29.91 28.41 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.837 -1.165 . . . . 0.0 110.011 169.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -55.03 -34.22 63.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.66 -0.65 . . . . 0.0 111.135 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -11.62 10.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.054 1.342 . . . . 0.0 114.241 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -82.92 -43.02 16.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.311 1.445 . . . . 0.0 110.826 168.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.98 -36.74 68.2 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.183 -0.948 . . . . 0.0 111.087 173.291 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.7 t -66.42 -12.7 15.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.726 1.611 . . . . 0.0 112.699 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -87.94 -47.96 8.15 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.621 -1.299 . . . . 0.0 112.035 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.68 -18.1 15.9 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.806 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.76 -39.29 93.37 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.976 1.388 . . . . 0.0 111.227 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.09 60.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.215 1.406 . . . . 0.0 113.246 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.52 -62.65 1.5 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.547 1.139 . . . . 0.0 111.086 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -87.83 -25.12 23.48 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.119 0.968 . . . . 0.0 113.609 -170.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.8 t60 57.17 88.51 0.05 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.772 2.029 . . . . 0.0 114.195 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? 58.78 61.74 2.1 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.928 2.091 . . . . 0.0 111.847 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -152.38 86.84 1.29 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 123.06 1.409 . . . . 0.0 109.977 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -64.69 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.723 1.209 . . . . 0.0 110.802 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -57.66 -5.31 0.36 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.684 1.993 . . . . 0.0 114.055 168.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.66 -33.33 5.55 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.837 1.198 . . . . 0.0 112.357 169.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mt -54.27 -34.23 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.671 0.789 . . . . 0.0 112.79 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -27.3 65.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -70.77 -33.39 70.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.052 0.941 . . . . 0.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -77.27 -41.91 39.08 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.127 -0.983 . . . . 0.0 111.147 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.2 -31.46 39.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.063 169.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.11 101.32 2.66 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 127.129 2.299 . . . . 0.0 114.857 169.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.345 1.9 t 52.35 27.17 4.6 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 128.591 2.756 . . . . 0.0 116.736 170.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -77.64 171.2 15.29 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.993 -1.067 . . . . 0.0 110.116 170.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.8 172.92 12.32 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 118.852 0.751 . . . . 0.0 109.28 166.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.5 t -86.4 -15.24 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 O-C-N 120.376 -1.452 . . . . 0.0 112.71 172.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.05 -47.89 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.457 -1.402 . . . . 0.0 113.518 -170.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.5 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.98 -34.66 78.24 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.354 -0.841 . . . . 0.0 111.908 175.309 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.7 -37.95 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.778 0.831 . . . . 0.0 110.736 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 tpt85 -60.61 -44.57 96.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -174.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -66.91 -48.63 68.11 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 124.177 0.923 . . . . 0.0 111.263 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.402 ' CD2' ' CD1' ' A' ' 11' ' ' TRP . 11.4 m-70 -69.37 -34.32 74.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -55.53 -57.25 12.69 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.138 0.881 . . . . 0.0 110.558 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -53.16 -20.12 3.59 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 119.909 -1.744 . . . . 0.0 115.122 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -69.41 -33.92 73.72 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.331 -1.319 . . . . 0.0 112.929 169.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -44.59 94.79 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 120.933 1.697 . . . . 0.0 109.863 169.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -63.73 -50.22 69.99 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.682 1.193 . . . . 0.0 112.176 -175.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.8 -32.48 74.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.778 0.717 . . . . 0.0 112.285 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.72 -18.0 65.01 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.6 mt -65.23 -30.72 71.63 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 52.56 50.87 17.27 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.769 1.627 . . . . 0.0 114.06 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -74.18 161.15 30.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.932 1.293 . . . . 0.0 111.653 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.8 m -65.63 125.4 25.14 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.983 -1.073 . . . . 0.0 110.746 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 C-N-CA 126.679 1.992 . . . . 0.0 115.418 -174.453 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.743 0 CA-C-O 119.702 -0.499 . . . . 0.0 112.925 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -80.02 169.6 17.57 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.665 3.577 . . . . 0.0 111.404 169.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.1 mt -53.49 148.28 9.49 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.412 1.485 . . . . 0.0 114.638 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.81 15.99 69.66 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 116.334 1.294 . . . . 0.0 116.334 174.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -89.33 52.82 2.46 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.773 1.629 . . . . 0.0 113.312 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -68.47 -34.6 76.22 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -81.42 -2.51 49.74 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 56.53 38.24 29.47 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.626 1.97 . . . . 0.0 114.33 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.93 17.6 0.42 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.064 1.346 . . . . 0.0 113.113 169.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -155.37 157.12 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 129.861 3.264 . . . . 0.0 107.052 175.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -62.51 142.42 57.95 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.86 157.36 47.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.249 1.42 . . . . 0.0 111.094 -178.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -63.21 -26.17 68.67 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.23 -29.21 48.09 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.549 -0.719 . . . . 0.0 112.264 169.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -36.55 28.6 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.9 0.88 . . . . 0.0 110.848 -177.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -39.35 69.92 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.762 0.825 . . . . 0.0 111.239 178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -14.87 9.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.405 1.482 . . . . 0.0 114.327 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -92.19 -41.93 10.17 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 125.814 1.646 . . . . 0.0 113.366 172.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -58.41 -40.53 82.7 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.959 -1.088 . . . . 0.0 111.649 178.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.89 -14.91 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.01 -44.23 16.93 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.276 1.03 . . . . 0.0 112.425 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.96 -19.5 22.72 Favored Glycine 0 CA--C 1.543 1.816 0 O-C-N 121.832 -0.543 . . . . 0.0 113.35 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.76 -23.73 64.35 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.297 -1.12 . . . . 0.0 113.103 171.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.12 -34.69 13.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.065 1.746 . . . . 0.0 113.439 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.83 -59.72 2.76 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.944 -1.097 . . . . 0.0 110.063 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.08 -40.98 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.566 1.546 . . . . 0.0 111.795 -173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.5 t60 64.07 95.69 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.336 1.854 . . . . 0.0 114.592 -171.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.01 64.13 1.47 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.798 2.439 . . . . 0.0 112.354 173.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -159.81 86.54 0.78 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.586 1.184 . . . . 0.0 110.484 -172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.47 -24.67 63.82 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.706 -1.246 . . . . 0.0 111.284 -171.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -61.35 0.55 0.27 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.529 2.332 . . . . 0.0 114.504 171.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -120.83 -35.99 3.24 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 111.893 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.9 mt -54.51 -36.86 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.934 0.894 . . . . 0.0 113.298 -176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -25.56 65.07 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -77.41 -28.89 52.8 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -74.61 -43.0 57.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.514 0.673 . . . . 0.0 111.353 -174.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.58 -45.5 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.302 171.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.72 85.53 0.07 OUTLIER Glycine 0 N--CA 1.475 1.236 0 CA-C-N 118.839 0.745 . . . . 0.0 114.497 170.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 p 52.43 27.26 4.78 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 127.251 2.22 . . . . 0.0 115.493 173.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -72.49 169.87 15.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.839 1.256 . . . . 0.0 112.534 -174.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 p -78.36 167.44 21.34 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.026 -1.046 . . . . 0.0 108.762 163.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.7 t -90.52 -19.54 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 O-C-N 120.092 -1.63 . . . . 0.0 113.106 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.7 t -52.87 -55.07 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 124.568 1.147 . . . . 0.0 114.032 -171.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.609 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.94 -35.21 80.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.782 2.033 . . . . 0.0 112.388 176.435 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mt -70.49 -35.41 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.442 -0.786 . . . . 0.0 111.013 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -65.31 -43.44 91.03 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.515 0.726 . . . . 0.0 112.501 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.5 p -70.09 -38.56 75.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.691 0.796 . . . . 0.0 112.479 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -33.29 64.12 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.94 -53.07 57.82 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 119.288 0.949 . . . . 0.0 111.086 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -45.76 -27.91 0.93 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 171.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.64 -36.81 84.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.688 1.131 . . . . 0.0 113.002 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -46.13 83.07 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.268 1.395 . . . . 0.0 109.485 171.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -69.2 -44.71 71.56 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.6 1.56 . . . . 0.0 112.158 -173.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.1 mt -65.41 -41.8 93.2 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.018 0.927 . . . . 0.0 111.542 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -70.36 -33.62 71.66 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.3 tp -59.35 124.54 20.35 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.818 1.247 . . . . 0.0 112.196 -174.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -61.32 144.22 54.32 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.511 -0.743 . . . . 0.0 112.473 172.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -83.35 142.03 31.35 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.674 1.19 . . . . 0.0 113.554 -174.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.4 m 55.59 32.86 20.02 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.724 1.609 . . . . 0.0 113.205 171.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.311 1.445 . . . . 0.0 113.051 -169.623 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.102 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -60.83 168.78 6.58 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 125.23 3.953 . . . . 0.0 115.76 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -76.13 171.06 15.12 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.116 1.767 . . . . 0.0 112.549 169.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.62 -177.74 28.22 Favored Glycine 0 CA--C 1.537 1.418 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 167.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -56.36 123.25 14.03 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.593 -0.945 . . . . 0.0 113.419 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -67.05 -17.09 64.74 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -74.44 -7.93 54.62 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.98 1.312 . . . . 0.0 114.468 169.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -100.97 160.6 14.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.938 1.695 . . . . 0.0 112.91 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -137.16 -18.12 1.33 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.177 1.391 . . . . 0.0 114.296 -172.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -84.98 141.98 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.615 1.166 . . . . 0.0 110.578 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -58.12 146.48 33.14 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t -154.66 156.31 36.22 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 127.13 2.172 . . . . 0.0 108.444 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.36 -37.6 78.29 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.335 1.88 . . . . 0.0 114.759 -169.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -18.29 64.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.606 -1.308 . . . . 0.0 113.303 173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -89.28 -47.0 8.35 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.216 -0.927 . . . . 0.0 110.633 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -35.27 72.82 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.95 1.3 . . . . 0.0 111.362 -176.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.03 34.02 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 117.88 -1.057 . . . . 0.0 113.8 175.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.13 -32.98 29.87 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.358 1.436 . . . . 0.0 113.509 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.51 -39.73 77.17 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.562 -0.711 . . . . 0.0 110.235 169.24 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -66.22 -17.97 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.778 1.231 . . . . 0.0 112.668 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -84.64 -45.65 12.28 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.287 1.035 . . . . 0.0 112.327 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 -16.85 29.66 Favored Glycine 0 CA--C 1.538 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 113.608 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.99 -41.53 96.67 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.495 1.147 . . . . 0.0 111.324 170.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.0 61.77 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.327 1.451 . . . . 0.0 113.032 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.52 -66.11 0.91 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.072 0.851 . . . . 0.0 110.708 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.24 -19.39 36.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.135 -0.938 . . . . 0.0 112.88 -170.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 t60 59.54 80.31 0.2 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.295 1.438 . . . . 0.0 113.782 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? 61.38 60.42 1.71 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.013 2.125 . . . . 0.0 111.761 170.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -151.86 92.2 1.71 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.226 1.41 . . . . 0.0 110.077 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -68.39 -28.13 66.83 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.049 -1.032 . . . . 0.0 111.146 -170.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -62.26 4.06 0.15 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.716 2.406 . . . . 0.0 114.586 171.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -123.03 -34.34 3.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.672 1.189 . . . . 0.0 111.767 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mt -52.54 -35.7 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.31 -0.869 . . . . 0.0 112.988 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -30.15 36.2 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -88.47 -14.61 37.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.913 1.285 . . . . 0.0 113.678 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -79.56 -46.09 17.97 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.757 0.823 . . . . 0.0 111.218 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.27 -44.85 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 124.262 1.025 . . . . 0.0 110.711 170.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.71 106.95 2.08 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.034 1.302 . . . . 0.0 115.433 169.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.262 71.5 p 58.64 24.01 11.61 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 127.714 2.405 . . . . 0.0 116.032 168.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -85.63 162.96 18.58 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.668 1.187 . . . . 0.0 113.44 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -77.56 160.57 28.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.508 1.123 . . . . 0.0 109.564 165.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.5 t -94.41 -13.8 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 O-C-N 120.684 -1.26 . . . . 0.0 113.718 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.81 -57.54 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 C-N-CA 124.781 1.232 . . . . 0.0 113.513 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.592 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.44 -33.6 74.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.078 1.751 . . . . 0.0 112.286 175.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.42 -41.23 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 119.2 0.909 . . . . 0.0 111.236 175.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -63.59 -44.69 93.26 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.663 1.185 . . . . 0.0 110.391 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.5 m -67.11 -37.82 84.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.863 -1.517 . . . . 0.0 112.491 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.98 -31.58 50.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 171.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -56.42 -54.47 45.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.519 1.054 . . . . 0.0 109.989 177.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.93 -11.2 0.59 Allowed 'General case' 0 CA--C 1.559 1.307 0 O-C-N 119.53 -1.981 . . . . 0.0 116.02 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -80.27 -30.64 38.4 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.124 1.369 . . . . 0.0 113.429 168.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -39.69 80.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.759 1.618 . . . . 0.0 109.942 169.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.33 -44.37 88.01 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.918 0.887 . . . . 0.0 112.845 -172.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.51 1.71 7.61 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.049 1.499 . . . . 0.0 115.049 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -102.95 -43.98 5.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.576 1.551 . . . . 0.0 110.728 168.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.53 -44.05 65.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.704 1.202 . . . . 0.0 113.757 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -97.15 159.99 14.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.4 1.48 . . . . 0.0 110.655 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.91 -13.28 62.34 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 t -63.71 153.93 34.73 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.363 0 C-N-CA 127.039 2.136 . . . . 0.0 112.792 178.496 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.991 0 CA-C-O 119.369 -0.684 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -74.9 152.45 41.32 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.279 3.319 . . . . 0.0 113.694 -172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.6 mt -115.02 10.36 16.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.214 1.406 . . . . 0.0 114.103 -173.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.13 -7.57 51.32 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 -174.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -54.14 -32.37 55.02 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.459 1.629 . . . . 0.0 114.099 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -70.39 -2.38 13.54 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -133.45 25.8 4.11 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.633 1.573 . . . . 0.0 113.403 -175.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.89 154.19 7.59 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.776 2.03 . . . . 0.0 115.663 -174.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -91.23 24.27 2.97 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.127 2.171 . . . . 0.0 113.652 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.45 156.95 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.434 1.494 . . . . 0.0 111.439 -170.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -74.55 139.27 43.64 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 175.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -146.8 162.77 37.91 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.214 2.206 . . . . 0.0 109.557 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.98 -31.35 72.21 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.111 1.323 . . . . 0.0 113.325 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.58 -18.6 61.05 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.996 -1.065 . . . . 0.0 113.349 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.24 -38.61 13.31 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -36.52 80.64 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.967 -1.083 . . . . 0.0 111.706 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.3 -9.4 2.23 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -95.19 -44.95 7.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.664 1.585 . . . . 0.0 112.251 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.52 -40.06 71.33 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.546 0.738 . . . . 0.0 111.927 177.665 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.53 -18.54 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.304 1.441 . . . . 0.0 112.557 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -85.24 -46.71 10.78 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.576 1.151 . . . . 0.0 111.67 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.54 -20.17 37.22 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.897 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -36.71 79.88 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.183 0.991 . . . . 0.0 111.804 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.06 -30.54 44.07 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.761 1.224 . . . . 0.0 113.254 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.52 -57.27 3.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.933 1.293 . . . . 0.0 111.677 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.41 -22.99 21.18 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 52.64 89.0 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.659 1.984 . . . . 0.0 113.301 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.0 tptp 56.66 66.32 1.21 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.43 1.892 . . . . 0.0 110.524 171.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -161.33 83.98 0.64 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.055 1.742 . . . . 0.0 110.075 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -64.62 -26.68 68.5 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.167 -1.583 . . . . 0.0 112.304 -172.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 14.1 mmmm -59.48 -2.26 0.31 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 128.761 2.824 . . . . 0.0 114.263 173.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -118.61 -28.48 5.65 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.272 1.029 . . . . 0.0 112.654 170.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.16 -34.52 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.264 -0.898 . . . . 0.0 112.217 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.31 -23.08 46.33 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 175.548 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.71 -29.91 51.51 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.635 1.174 . . . . 0.0 113.681 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -82.4 -40.05 21.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.032 0.92 . . . . 0.0 112.117 -169.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.66 -34.41 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.634 169.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.95 17.78 49.98 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.18 0.895 . . . . 0.0 114.816 -172.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -69.52 -27.58 65.3 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 118.725 1.263 . . . . 0.0 112.871 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt 65.51 -38.78 0.27 Allowed 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.246 2.618 . . . . 0.0 115.624 -172.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.3 p -91.08 152.47 20.61 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.343 2.257 . . . . 0.0 113.118 170.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.71 -16.02 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 126.621 1.968 . . . . 0.0 113.558 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.1 t -47.37 -46.63 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-N 119.813 1.188 . . . . 0.0 113.293 -174.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -71.99 -35.27 69.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.614 1.966 . . . . 0.0 114.096 175.661 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.7 mt -68.93 -37.27 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 120.873 -1.142 . . . . 0.0 111.688 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -56.95 -47.7 80.06 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.783 0.833 . . . . 0.0 112.348 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.5 p -74.78 -36.3 62.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.485 1.514 . . . . 0.0 113.5 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -32.24 61.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.808 0.731 . . . . 0.0 112.748 176.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -53.36 -52.19 60.03 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.64 0.776 . . . . 0.0 110.577 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -44.38 -30.57 0.86 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -65.81 -30.06 70.63 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.462 -1.399 . . . . 0.0 114.55 173.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -43.2 94.4 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 121.205 1.821 . . . . 0.0 110.44 169.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -69.21 -39.46 78.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.794 2.038 . . . . 0.0 112.949 -171.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.42 -28.82 69.51 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.637 1.175 . . . . 0.0 112.788 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.53 -27.53 51.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.8 mt -69.89 -34.15 73.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.333 0.969 . . . . 0.0 112.522 171.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.89 163.55 14.17 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.151 0.98 . . . . 0.0 112.52 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -59.47 160.33 7.05 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.031 0.932 . . . . 0.0 112.468 169.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.7 p -71.74 -25.35 62.02 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.266 1.926 0 C-N-CA 127.264 2.226 . . . . 0.0 115.199 172.779 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 CA-C-O 119.311 -0.716 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -66.03 154.21 74.98 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 124.398 3.399 . . . . 0.0 115.504 -174.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.28 136.38 58.02 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.317 1.047 . . . . 0.0 111.744 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.52 -150.25 44.77 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.152 0.882 . . . . 0.0 113.452 -174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -148.8 140.95 23.96 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.237 1.015 . . . . 0.0 112.502 176.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -78.75 -9.48 59.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.883 1.273 . . . . 0.0 113.629 169.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -124.93 84.29 2.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.213 1.405 . . . . 0.0 108.954 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -118.59 151.46 37.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.107 1.363 . . . . 0.0 112.276 -171.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -58.03 147.23 30.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.231 1.412 . . . . 0.0 112.778 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.8 p -64.63 -14.87 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.822 1.649 . . . . 0.0 115.435 -169.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -69.14 142.57 54.34 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -172.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -131.93 161.41 33.13 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.06 1.744 . . . . 0.0 109.508 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.21 -37.39 87.05 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.671 -1.268 . . . . 0.0 110.639 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -29.45 68.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.679 1.191 . . . . 0.0 113.587 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -82.71 -28.0 30.82 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.998 -1.064 . . . . 0.0 111.124 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -40.61 71.04 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.389 -0.82 . . . . 0.0 111.483 176.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.02 -9.01 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.435 1.894 . . . . 0.0 115.049 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -95.18 -44.43 7.63 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.988 1.315 . . . . 0.0 112.138 171.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -57.94 -40.23 79.99 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.132 -0.98 . . . . 0.0 111.203 -179.279 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.23 -16.34 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.499 1.119 . . . . 0.0 113.608 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.77 -46.71 12.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.706 1.203 . . . . 0.0 111.784 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.84 -19.71 30.28 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.096 -0.835 . . . . 0.0 113.333 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.49 -35.58 79.79 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.912 1.356 . . . . 0.0 111.804 173.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.34 -28.41 47.24 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.36 1.464 . . . . 0.0 113.493 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.6 mt -87.39 -51.29 6.02 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.159 1.384 . . . . 0.0 112.326 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -99.41 -16.17 18.49 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.5 t60 53.9 79.0 0.14 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.629 1.572 . . . . 0.0 113.764 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? 58.2 73.16 0.48 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.981 2.112 . . . . 0.0 110.714 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -160.09 83.81 0.72 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 123.071 1.415 . . . . 0.0 110.154 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -66.7 -29.93 70.04 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.347 -1.471 . . . . 0.0 111.164 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.2 6.37 0.42 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.66 1.984 . . . . 0.0 113.768 172.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -118.35 -38.57 3.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.547 1.539 . . . . 0.0 111.173 166.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.74 -36.14 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.228 0.922 . . . . 0.0 112.684 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -33.54 47.4 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.83 -27.69 57.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.848 1.259 . . . . 0.0 111.815 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.87 -46.83 28.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.829 -178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.45 -51.54 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-O 117.38 -1.295 . . . . 0.0 112.884 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.38 21.36 0.05 OUTLIER Glycine 0 N--CA 1.482 1.708 0 N-CA-C 120.369 2.907 . . . . 0.0 120.369 -168.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.3 p 56.11 31.08 17.52 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 120.216 2.008 . . . . 0.0 113.746 -173.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.44 -178.32 7.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.79 2.436 . . . . 0.0 114.485 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 p -72.33 169.68 15.77 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.198 1.799 . . . . 0.0 110.466 165.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t -103.51 -21.94 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 O-C-N 120.895 -1.128 . . . . 0.0 113.909 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -50.15 -46.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.62 1.168 . . . . 0.0 113.525 -172.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.537 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -63.33 -35.86 81.79 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.93 1.292 . . . . 0.0 113.233 175.217 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.9 mt -71.2 -34.4 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.273 -0.892 . . . . 0.0 110.52 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -61.86 -43.81 98.1 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.077 0.853 . . . . 0.0 113.13 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -77.61 -34.53 53.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.589 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -72.62 -32.27 65.79 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.892 1.223 . . . . 0.0 113.511 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -50.12 -51.51 42.59 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.811 0.844 . . . . 0.0 110.652 173.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.7 -26.99 1.73 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.78 -35.06 73.87 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.118 -1.614 . . . . 0.0 113.22 170.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -38.21 77.76 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.741 1.155 . . . . 0.0 110.515 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -75.15 -33.42 61.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.678 1.191 . . . . 0.0 112.579 -177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.31 -46.57 82.99 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.295 0.638 . . . . 0.0 111.95 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.93 -26.12 53.68 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.7 tp -57.73 131.54 50.62 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.847 1.259 . . . . 0.0 110.057 172.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -58.72 133.76 56.22 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.998 0.519 . . . . 0.0 111.033 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.22 128.78 37.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.996 0.918 . . . . 0.0 112.036 -172.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -153.77 132.97 12.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.032 0.933 . . . . 0.0 111.146 169.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.436 -1.269 . . . . 0.0 112.157 176.279 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.837 0 CA-C-O 118.508 -1.162 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -76.71 -4.98 15.6 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 123.497 2.798 . . . . 0.0 115.473 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 65.43 150.21 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 128.19 2.596 . . . . 0.0 113.998 -168.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.67 -172.79 31.51 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.389 0.995 . . . . 0.0 114.797 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -73.46 139.64 45.94 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.827 -0.808 . . . . 0.0 112.468 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -78.0 158.07 29.41 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.435 1.094 . . . . 0.0 110.099 168.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -74.85 35.63 0.1 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.508 1.923 . . . . 0.0 114.736 -173.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -124.57 142.12 51.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.675 2.79 . . . . 0.0 109.474 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -85.99 -20.01 29.52 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.96 135.52 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.183 1.393 . . . . 0.0 111.95 -176.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -75.7 145.29 41.03 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -140.01 166.96 23.23 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.975 1.71 . . . . 0.0 109.111 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -69.78 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.933 -1.104 . . . . 0.0 113.211 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.51 -23.91 50.15 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.943 0.897 . . . . 0.0 113.092 173.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -87.37 -40.96 13.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.259 1.024 . . . . 0.0 110.262 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -36.73 74.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.299 -0.876 . . . . 0.0 111.994 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.43 -14.89 2.17 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.31 1.444 . . . . 0.0 114.33 173.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.68 -36.86 10.12 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.152 1.342 . . . . 0.0 113.082 172.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -39.14 74.45 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.55 -1.344 . . . . 0.0 112.164 174.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -67.45 -7.96 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.12 -49.26 7.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.876 1.271 . . . . 0.0 112.382 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.96 31.52 Favored Glycine 0 CA--C 1.538 1.484 0 CA-C-N 118.095 0.407 . . . . 0.0 113.32 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.13 -29.21 70.18 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.958 0.903 . . . . 0.0 112.744 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.84 -9.74 28.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.692 1.997 . . . . 0.0 113.942 176.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.95 -65.54 0.96 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -82.73 -26.37 32.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.641 1.176 . . . . 0.0 113.413 -174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 56.23 92.21 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.154 1.781 . . . . 0.0 113.794 -173.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? 57.82 62.7 2.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.705 2.002 . . . . 0.0 112.708 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -156.06 80.55 0.99 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.944 1.297 . . . . 0.0 109.708 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -64.29 -28.39 69.68 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 120.25 -1.531 . . . . 0.0 111.567 -171.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 30.1 mmmt -56.69 -5.32 0.21 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.325 2.65 . . . . 0.0 114.604 170.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -117.26 -28.25 6.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.752 1.221 . . . . 0.0 112.667 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mt -59.29 -31.96 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.164 0.986 . . . . 0.0 112.31 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.2 -29.78 47.32 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 172.261 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.77 -24.33 52.93 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -78.72 -47.29 17.17 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.088 -1.007 . . . . 0.0 110.776 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.97 -38.53 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 111.772 173.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.23 101.01 2.4 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.72 1.152 . . . . 0.0 113.422 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m 50.8 59.27 4.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 127.833 2.453 . . . . 0.0 113.489 171.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -112.2 155.11 24.52 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.103 0.961 . . . . 0.0 113.191 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.09 154.87 40.77 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.347 1.059 . . . . 0.0 108.869 164.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -87.25 -21.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 120.013 -1.679 . . . . 0.0 113.41 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -49.27 -53.06 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-N 120.798 1.636 . . . . 0.0 115.041 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.585 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -67.53 -34.45 77.13 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.804 1.241 . . . . 0.0 112.053 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.09 -40.32 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.347 -0.846 . . . . 0.0 110.377 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.6 ttp85 -66.97 -36.64 82.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.701 1.201 . . . . 0.0 112.248 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 t -66.63 -47.29 73.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 113.103 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -25.49 39.12 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -176.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.1 -55.43 31.2 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -50.86 -24.31 3.46 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -66.26 -36.51 83.17 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.645 -1.284 . . . . 0.0 112.549 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -38.46 72.79 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.866 1.666 . . . . 0.0 112.048 172.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -69.5 -47.82 62.59 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.567 1.547 . . . . 0.0 111.29 -176.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.03 -40.69 98.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.748 0.819 . . . . 0.0 112.563 175.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -77.33 -14.83 59.65 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.53 1.532 . . . . 0.0 114.371 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.31 112.62 2.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.11 1.364 . . . . 0.0 113.427 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -81.52 121.05 25.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.249 1.02 . . . . 0.0 109.451 168.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -142.7 157.22 44.89 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.147 1.779 . . . . 0.0 113.017 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.7 t -63.31 155.4 28.74 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.303 1.841 . . . . 0.0 114.196 -172.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.748 2.819 . . . . 0.0 115.826 -176.841 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.636 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.87 170.38 6.06 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 125.294 3.996 . . . . 0.0 115.121 -174.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.71 122.57 11.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.351 1.06 . . . . 0.0 112.166 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.76 132.16 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.338 1.446 . . . . 0.0 111.579 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -76.81 137.89 39.51 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.2 0.6 . . . . 0.0 112.127 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.05 -37.34 76.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.771 1.628 . . . . 0.0 111.941 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -145.2 -62.07 0.35 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.636 1.974 . . . . 0.0 111.694 168.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -144.59 -29.22 0.47 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.253 1.421 . . . . 0.0 114.062 -175.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.24 150.38 21.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.236 1.014 . . . . 0.0 112.627 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.8 m -83.95 3.13 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -71.7 160.12 33.2 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.235 1.414 . . . . 0.0 113.817 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -139.97 160.58 39.59 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.223 1.809 . . . . 0.0 109.56 172.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -68.46 -22.76 64.56 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.972 -1.08 . . . . 0.0 113.296 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.54 -18.58 40.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 169.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.61 -41.51 11.31 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.07 0.948 . . . . 0.0 109.235 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.07 81.95 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.286 -0.884 . . . . 0.0 111.434 176.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.35 -8.89 1.92 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.776 1.631 . . . . 0.0 114.888 172.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -100.4 -36.65 9.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.9 1.68 . . . . 0.0 112.578 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -39.93 69.05 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.363 -0.836 . . . . 0.0 110.664 169.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.82 -16.28 18.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 126.391 1.876 . . . . 0.0 114.098 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.65 -51.39 6.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.954 1.302 . . . . 0.0 111.388 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.64 -15.13 32.0 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.135 -0.814 . . . . 0.0 113.356 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.42 -45.61 88.11 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.579 1.19 . . . . 0.0 110.703 169.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.73 63.38 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.01 1.724 . . . . 0.0 113.432 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -79.91 -58.68 3.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.912 0.885 . . . . 0.0 111.004 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -88.71 -14.19 37.86 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -174.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 80.4 t60 63.03 74.1 0.44 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.288 1.035 . . . . 0.0 111.906 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 52' ' ' TYR . 30.7 mmtp 55.11 63.51 2.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.474 2.31 . . . . 0.0 111.977 172.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -146.77 84.4 1.61 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.859 1.264 . . . . 0.0 108.328 -168.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -63.77 -32.69 74.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.129 1.372 . . . . 0.0 111.044 -169.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -58.24 -3.33 0.25 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.301 2.241 . . . . 0.0 113.807 170.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -116.75 -36.4 3.9 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.336 1.454 . . . . 0.0 112.116 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.2 mt -53.48 -38.19 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.973 0.909 . . . . 0.0 113.053 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.63 -32.72 52.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -76.88 -20.01 56.77 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.065 0.946 . . . . 0.0 113.265 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -78.63 -41.78 30.6 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.556 0.742 . . . . 0.0 111.244 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.77 -40.76 61.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.47 15.41 0.02 OUTLIER Glycine 0 CA--C 1.541 1.719 0 N-CA-C 118.564 2.186 . . . . 0.0 118.564 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.279 21.6 p 63.66 27.59 14.86 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 119.86 1.83 . . . . 0.0 114.139 -170.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -68.39 -176.41 0.76 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 129.107 2.963 . . . . 0.0 113.543 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 p -72.37 170.4 14.28 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 121.089 -1.007 . . . . 0.0 111.916 168.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -99.08 -19.19 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 125.078 1.351 . . . . 0.0 112.913 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -48.52 -47.13 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 125.613 1.565 . . . . 0.0 113.7 -174.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.623 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.5 -38.63 87.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.085 1.754 . . . . 0.0 112.667 176.28 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.3 mt -69.1 -34.64 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 121.44 -0.787 . . . . 0.0 110.728 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -59.95 -42.7 94.6 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 p -80.4 -43.84 20.36 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.475 1.11 . . . . 0.0 113.217 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -28.58 65.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.405 1.457 . . . . 0.0 112.757 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.27 78.48 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.022 -1.049 . . . . 0.0 110.207 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.0 -20.0 3.1 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 119.998 -1.688 . . . . 0.0 114.9 174.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -73.68 -34.67 64.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.733 1.213 . . . . 0.0 113.752 169.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -54.39 -42.22 70.13 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.805 1.639 . . . . 0.0 110.521 171.57 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -69.45 -44.47 71.19 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.95 -25.88 63.85 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.551 0.614 . . . . 0.0 112.531 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -65.99 -28.33 68.81 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.089 0.955 . . . . 0.0 112.801 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mp -88.56 -14.46 37.59 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.117 1.767 . . . . 0.0 113.319 171.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -73.45 -21.76 60.37 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.654 1.116 . . . . 0.0 112.618 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.5 151.27 37.91 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.703 1.201 . . . . 0.0 111.979 169.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.3 p -62.99 133.88 55.3 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.521 0.728 . . . . 0.0 111.748 170.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 124.902 1.281 . . . . 0.0 112.007 177.658 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -62.89 131.33 32.53 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.671 2.248 . . . . 0.0 110.418 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.04 -25.21 66.15 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -169.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.02 34.9 91.17 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.225 0.917 . . . . 0.0 114.943 171.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -70.18 137.73 51.21 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.29 1.045 . . . . 0.0 111.566 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -163.86 148.84 10.58 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.15 1.78 . . . . 0.0 110.36 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -57.36 127.63 32.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.017 0.927 . . . . 0.0 110.855 -174.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -135.63 3.02 2.99 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.354 1.862 . . . . 0.0 113.997 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -78.04 176.91 8.73 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.518 2.327 . . . . 0.0 114.193 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -47.1 149.31 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 127.972 2.509 . . . . 0.0 114.836 175.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -49.07 148.2 2.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.01 1.724 . . . . 0.0 114.755 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -119.44 157.9 27.31 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.339 1.056 . . . . 0.0 111.287 168.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -66.84 0.8 2.19 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.56 -16.25 5.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.02 1.328 . . . . 0.0 113.229 169.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.76 -27.3 61.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.432 -1.418 . . . . 0.0 109.931 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -53.14 -33.22 51.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.324 1.049 . . . . 0.0 111.546 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.13 -12.56 20.21 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.162 1.385 . . . . 0.0 113.743 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -85.74 -39.15 17.49 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.956 1.702 . . . . 0.0 111.936 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -55.32 -40.0 70.64 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 121.083 -1.011 . . . . 0.0 110.677 169.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.45 -20.82 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.017 1.727 . . . . 0.0 112.751 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -82.97 -42.43 17.6 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.904 -1.122 . . . . 0.0 112.101 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.47 -20.78 52.55 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.024 176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.16 -18.51 64.63 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.759 1.28 . . . . 0.0 112.689 173.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.9 -25.43 16.57 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.267 1.427 . . . . 0.0 113.571 170.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt -86.28 -51.05 6.5 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.992 1.317 . . . . 0.0 113.105 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -100.77 -4.83 27.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.647 1.579 . . . . 0.0 113.236 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.0 t60 68.92 -62.62 0.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 128.519 2.727 . . . . 0.0 115.221 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 70.81 0.3 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.562 1.545 . . . . 0.0 110.46 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -157.76 99.96 1.73 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.008 1.385 . . . . 0.0 110.537 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -64.37 -22.85 67.09 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.691 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -72.36 6.52 2.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.78 1.632 . . . . 0.0 113.288 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -124.45 -29.02 3.55 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.574 1.55 . . . . 0.0 112.318 170.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -56.12 -28.67 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.477 0.711 . . . . 0.0 112.61 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -34.56 60.18 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.27 -27.91 60.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.461 1.105 . . . . 0.0 113.717 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -78.56 -44.94 22.95 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.355 -0.84 . . . . 0.0 111.183 -170.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.92 -50.97 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.578 1.551 . . . . 0.0 110.361 169.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.51 122.81 3.9 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.603 2.049 . . . . 0.0 114.299 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m 59.27 46.41 12.85 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.882 2.073 . . . . 0.0 114.15 168.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -101.16 169.26 9.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.884 1.273 . . . . 0.0 113.657 173.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 p -105.19 5.75 32.45 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 126.775 2.03 . . . . 0.0 113.574 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.353 0.8 OUTLIER 61.65 -19.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 129.22 3.008 . . . . 0.0 116.01 -167.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.9 -40.0 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.927 1.694 . . . . 0.0 112.165 -175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.29 62.0 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.65 1.18 . . . . 0.0 112.473 174.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mt -64.55 -39.42 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.008 -1.057 . . . . 0.0 110.857 173.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -57.41 -46.63 83.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.432 1.093 . . . . 0.0 112.164 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.7 p -74.63 -40.71 61.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.643 1.177 . . . . 0.0 112.811 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.24 -35.48 79.65 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.967 173.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -54.32 -56.65 16.33 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.365 1.066 . . . . 0.0 110.813 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -43.74 -30.34 0.63 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.57 -37.12 86.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 173.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -43.85 78.87 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.365 1.439 . . . . 0.0 109.987 171.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.98 -33.34 71.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.227 1.011 . . . . 0.0 113.08 -175.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.78 -42.54 85.88 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.73 -0.606 . . . . 0.0 111.597 170.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -75.27 -25.69 58.2 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 tp -59.5 -44.52 93.08 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.228 1.811 . . . . 0.0 112.482 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.17 123.39 18.04 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.547 1.139 . . . . 0.0 111.555 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -86.09 40.73 0.88 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.574 1.95 . . . . 0.0 112.114 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.1 m 55.09 64.1 1.9 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.009 2.124 . . . . 0.0 111.4 -169.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.449 0 C-N-CA 126.827 2.051 . . . . 0.0 111.708 -178.538 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.885 0 CA-C-O 118.391 -1.227 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -68.13 152.12 76.59 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.076 3.184 . . . . 0.0 112.411 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.2 148.8 45.21 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.136 0.974 . . . . 0.0 112.161 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -34.89 91.12 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.18 -0.95 . . . . 0.0 113.37 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -75.57 6.5 4.68 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.53 135.89 57.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.832 1.253 . . . . 0.0 112.097 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -159.63 -179.66 8.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.582 2.353 . . . . 0.0 110.94 172.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -136.15 169.49 17.54 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.974 1.71 . . . . 0.0 112.898 167.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.39 -0.58 57.59 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.495 2.318 . . . . 0.0 114.44 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.6 m -137.3 152.52 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 127.33 2.252 . . . . 0.0 109.282 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -68.95 143.49 54.41 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.885 1.221 . . . . 0.0 113.036 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.05 160.62 40.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.702 1.601 . . . . 0.0 109.827 175.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -66.22 -24.32 66.58 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.95 -29.88 64.73 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.503 -0.748 . . . . 0.0 112.238 169.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.92 -34.72 24.44 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.166 0.987 . . . . 0.0 110.902 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -36.11 68.64 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 111.652 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -16.95 3.62 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.451 1.5 . . . . 0.0 114.712 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -92.52 -39.46 11.36 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.796 1.18 . . . . 0.0 113.266 172.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -56.38 -39.99 73.86 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 121.256 -0.903 . . . . 0.0 111.843 176.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -65.52 -18.41 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -83.08 -43.7 15.99 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 123.898 0.879 . . . . 0.0 111.955 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.91 -23.28 14.86 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.69 -0.506 . . . . 0.0 113.238 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.78 -35.58 80.32 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.423 1.111 . . . . 0.0 111.665 173.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.61 -24.32 42.05 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.387 1.475 . . . . 0.0 114.506 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.2 mt -87.66 -42.61 12.54 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.461 1.104 . . . . 0.0 112.743 -176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.59 -16.03 12.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.814 1.245 . . . . 0.0 114.027 -174.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.2 t60 56.15 67.4 1.01 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.863 1.265 . . . . 0.0 114.404 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.95 72.9 0.35 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.903 2.081 . . . . 0.0 112.235 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -159.6 86.27 0.79 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.671 1.588 . . . . 0.0 110.093 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -66.98 -27.38 67.39 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.028 -1.67 . . . . 0.0 111.498 -171.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 32.0 mmtp -60.16 3.42 0.07 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.531 2.332 . . . . 0.0 114.279 169.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -123.1 -28.8 3.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.477 1.511 . . . . 0.0 111.717 169.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.66 -34.84 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.175 -0.953 . . . . 0.0 112.786 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.57 -32.88 52.69 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 173.243 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.1 -32.9 72.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.841 0.857 . . . . 0.0 113.259 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -80.13 -42.64 23.12 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 122.507 1.146 . . . . 0.0 111.09 -170.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.24 -39.39 64.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.765 170.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.64 75.01 0.06 OUTLIER Glycine 0 N--CA 1.482 1.737 0 N-CA-C 117.33 1.692 . . . . 0.0 117.33 168.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m 57.17 24.67 10.03 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 127.068 2.147 . . . . 0.0 114.524 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -68.29 170.95 7.84 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.506 1.923 . . . . 0.0 113.718 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 p -79.13 162.08 26.04 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 164.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.8 t -91.02 -18.49 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 120.983 -1.073 . . . . 0.0 113.794 -175.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.17 -58.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 119.679 1.127 . . . . 0.0 113.877 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.613 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -64.26 -34.02 77.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.062 2.145 . . . . 0.0 112.624 175.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.33 -36.17 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.408 -0.807 . . . . 0.0 110.692 175.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -61.28 -46.37 90.63 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.182 0.901 . . . . 0.0 111.783 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.1 m -67.36 -32.56 73.57 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -39.84 41.43 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.843 0.747 . . . . 0.0 112.707 171.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . . . -51.65 -57.59 8.74 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.099 0.96 . . . . 0.0 111.008 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -45.84 -23.85 0.32 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -69.19 -33.27 73.09 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.828 1.195 . . . . 0.0 113.716 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -37.92 68.42 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.226 1.375 . . . . 0.0 111.254 177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -66.61 -27.71 67.92 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.585 1.554 . . . . 0.0 112.341 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.1 -23.42 54.94 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.257 1.023 . . . . 0.0 112.779 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -85.71 -8.77 57.97 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.562 1.945 . . . . 0.0 114.569 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.9 mt -57.57 151.91 16.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.33 1.452 . . . . 0.0 113.667 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.7 t30 46.01 52.73 9.79 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.094 1.757 . . . . 0.0 114.054 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt 60.01 46.39 10.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.561 1.545 . . . . 0.0 112.902 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.1 m 55.21 49.32 17.5 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.824 1.649 . . . . 0.0 111.437 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.503 1.521 . . . . 0.0 114.501 -174.633 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.124 0 CA-C-O 117.858 -1.523 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.78 146.31 95.91 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.528 2.819 . . . . 0.0 115.752 -171.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.9 141.58 58.19 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.946 0.898 . . . . 0.0 111.371 169.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.82 12.37 80.93 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.419 1.009 . . . . 0.0 115.344 -178.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -72.47 -8.92 57.59 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -170.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -82.74 -46.66 12.88 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 120.586 1.539 . . . . 0.0 113.776 176.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -61.5 132.07 52.21 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.367 0.985 . . . . 0.0 111.157 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.7 ttm105 -156.56 53.26 0.53 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.283 1.433 . . . . 0.0 111.332 -171.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -121.46 -23.12 5.73 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.866 1.666 . . . . 0.0 112.375 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.21 156.12 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 126.91 2.084 . . . . 0.0 113.427 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -68.1 154.18 42.21 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 169.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -135.4 158.86 43.31 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.91 1.284 . . . . 0.0 110.278 170.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -61.44 -13.25 18.93 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.2 -9.56 15.01 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.624 1.57 . . . . 0.0 113.431 173.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.79 -29.14 15.51 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.235 -0.916 . . . . 0.0 111.529 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -35.26 63.97 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.07 -1.019 . . . . 0.0 111.703 174.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.8 51.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.944 1.297 . . . . 0.0 113.472 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.32 -39.75 59.13 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.741 1.216 . . . . 0.0 112.664 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -59.67 -39.33 84.1 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.242 -0.912 . . . . 0.0 110.942 177.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.8 -20.91 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 125.188 1.395 . . . . 0.0 112.461 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -80.66 -44.49 18.74 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.915 -1.116 . . . . 0.0 112.35 176.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.54 -18.99 39.7 Favored Glycine 0 CA--C 1.539 1.549 0 O-C-N 121.817 -0.552 . . . . 0.0 112.724 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.42 -29.37 68.84 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 118.055 0.927 . . . . 0.0 111.998 172.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.03 -35.71 42.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.841 1.256 . . . . 0.0 113.02 170.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.82 -58.44 3.09 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.833 0.853 . . . . 0.0 111.57 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.74 -35.39 14.92 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.593 1.557 . . . . 0.0 113.013 -174.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.2 t60 61.63 94.41 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.013 2.125 . . . . 0.0 114.914 -173.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.26 58.82 2.49 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.839 2.055 . . . . 0.0 112.876 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -154.93 84.86 1.09 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.287 1.435 . . . . 0.0 109.641 -174.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.5 -26.73 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 120.48 -1.387 . . . . 0.0 111.177 -171.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -57.82 -4.23 0.28 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.731 2.813 . . . . 0.0 114.594 170.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -118.09 -33.45 4.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.209 1.404 . . . . 0.0 112.117 172.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mt -55.39 -32.19 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.858 0.863 . . . . 0.0 112.911 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -25.9 60.51 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 177.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -71.63 -40.23 69.89 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.858 0.863 . . . . 0.0 112.519 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.95 -41.65 61.7 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.36 0.664 . . . . 0.0 112.05 -167.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.79 -20.99 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 125.264 1.425 . . . . 0.0 113.49 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.94 61.55 0.1 Allowed Glycine 0 N--CA 1.474 1.226 0 CA-C-N 119.289 0.95 . . . . 0.0 115.201 169.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m 52.7 54.04 11.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.651 1.58 . . . . 0.0 113.087 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -101.64 -177.25 3.37 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.562 1.945 . . . . 0.0 112.961 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 p -83.03 163.23 21.1 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.466 1.907 . . . . 0.0 110.639 165.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.8 t -89.81 -21.11 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.292 -1.505 . . . . 0.0 113.914 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.96 -49.08 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 125.308 1.443 . . . . 0.0 114.804 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.632 ' CD ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.73 -37.29 79.34 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.657 1.983 . . . . 0.0 112.488 177.151 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -65.06 -37.97 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.306 -0.871 . . . . 0.0 110.029 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -37.34 71.94 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.717 1.207 . . . . 0.0 112.563 -177.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -81.14 -45.85 15.8 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.166 1.386 . . . . 0.0 113.285 174.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -33.22 73.16 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.057 0.844 . . . . 0.0 113.209 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . . . -52.56 -58.84 5.49 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 124.021 0.928 . . . . 0.0 110.473 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -44.59 -28.2 0.56 Allowed 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 175.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 tptt -65.35 -37.09 86.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 117.258 -1.353 . . . . 0.0 114.441 172.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -44.27 84.68 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.311 1.414 . . . . 0.0 109.554 172.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.63 -46.13 80.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.652 1.181 . . . . 0.0 111.398 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.36 -37.85 88.86 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.873 1.269 . . . . 0.0 113.049 173.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -69.01 -43.58 74.53 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.159 0.584 . . . . 0.0 111.843 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mp -75.84 -10.43 59.43 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -52.43 132.06 34.27 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.065 1.346 . . . . 0.0 112.082 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 48.03 54.41 10.15 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.267 1.827 . . . . 0.0 113.351 173.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.3 m -138.97 157.61 45.7 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.204 1.402 . . . . 0.0 111.715 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.322 1.849 . . . . 0.0 110.83 169.551 . . . . . . . . 0 0 . 1 stop_ save_