data_3zob_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3zob _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.604 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 72.6 m-85 . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -118.91 -175.18 2.85 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.48 -27.21 64.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 -170.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -86.47 -21.51 26.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 123.985 0.914 . . . . 0.0 110.634 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -81.21 -48.46 12.04 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.06 -39.76 72.52 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.592 1.957 . . . . 0.0 112.741 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -55.94 -47.65 77.17 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.25 1.82 . . . . 0.0 111.882 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.452 HH12 ' HB2' ' A' ' 42' ' ' GLU . 71.8 ttt180 -61.27 -44.43 97.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.941 1.696 . . . . 0.0 111.551 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 mt -71.11 -29.14 64.88 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.396 0.678 . . . . 0.0 112.716 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmp? -74.83 -28.28 60.62 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 124.256 1.022 . . . . 0.0 110.565 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.18 -33.63 63.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.227 1.011 . . . . 0.0 110.15 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.34 -45.03 49.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.366 1.067 . . . . 0.0 109.663 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.87 -35.74 73.47 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 127.616 2.366 . . . . 0.0 111.738 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -62.07 -43.72 98.22 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.53 1.532 . . . . 0.0 111.58 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 m -80.33 -71.81 0.44 Allowed 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -112.98 114.93 27.6 Favored 'General case' 0 N--CA 1.427 -1.612 0 C-N-CA 126.001 1.72 . . . . 0.0 107.69 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -78.33 -21.74 49.11 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 1.621 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 94.7 m-85 -79.27 89.15 4.91 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 125.899 1.68 . . . . 0.0 108.535 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 tp -82.9 142.2 31.64 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -107.92 163.83 12.79 Favored 'General case' 0 CA--C 1.489 -1.383 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.67 -18.2 61.58 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 123.301 0.64 . . . . 0.0 111.346 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -90.17 -41.11 11.81 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 124.306 1.042 . . . . 0.0 109.984 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -77.89 -34.18 51.64 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.345 0.658 . . . . 0.0 109.684 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -56.11 -32.72 64.45 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.011 1.724 . . . . 0.0 112.733 172.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -69.79 -27.21 64.71 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 125.555 1.542 . . . . 0.0 111.54 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.6 m -88.11 -28.6 21.19 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 109.849 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.69 -29.55 62.36 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.25 64.75 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 125.5 1.52 . . . . 0.0 110.686 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -75.96 -41.41 51.6 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' HB2' HH12 ' A' ' 20' ' ' ARG . 55.0 mm-40 -93.99 -39.01 10.87 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -161.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.92 -32.08 67.01 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.23 34.38 6.76 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -100.12 -158.57 0.68 Allowed 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.572 HD21 HE21 ' A' ' 49' ' ' GLN . 71.6 m-80 -114.56 179.81 3.85 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 165.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.43 -40.62 66.94 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 123.878 0.871 . . . . 0.0 109.922 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -64.34 -26.59 68.54 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 126.632 1.973 . . . . 0.0 113.433 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.572 HE21 HD21 ' A' ' 46' ' ' ASN . 19.8 mm-40 -73.82 -39.39 64.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.206 1.003 . . . . 0.0 110.655 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -88.02 -19.84 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 125.51 1.524 . . . . 0.0 109.182 -174.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.39 -49.12 72.83 Favored 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 125.177 1.391 . . . . 0.0 108.988 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.79 -44.57 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 128.153 2.581 . . . . 0.0 110.765 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -57.59 -47.06 83.16 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.561 1.545 . . . . 0.0 111.441 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -72.08 -33.0 67.57 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.074 0.95 . . . . 0.0 110.965 -175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.59 -30.92 64.8 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.15 0.98 . . . . 0.0 111.967 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -74.83 -42.38 58.11 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 125.364 1.466 . . . . 0.0 109.81 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt . . . . . 0 CA--C 1.501 -0.938 0 C-N-CA 125.894 1.678 . . . . 0.0 112.542 -176.848 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 69.4 m-85 . . . . . 0 N--CA 1.436 -1.136 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.5 p -107.09 178.14 4.65 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 169.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.4 66.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 123.958 0.903 . . . . 0.0 111.291 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -73.99 -29.83 62.17 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.409 1.484 . . . . 0.0 111.225 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -79.49 -49.43 12.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.707 0.803 . . . . 0.0 109.208 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.512 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 78.5 mt -55.31 -39.98 70.57 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.627 1.971 . . . . 0.0 112.944 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -54.47 -49.5 69.96 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 126.906 2.082 . . . . 0.0 111.919 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.38 -42.68 96.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.341 1.456 . . . . 0.0 111.869 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.07 -27.86 67.71 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.502 1.121 . . . . 0.0 113.45 -174.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.512 ' HZ1' ' HB3' ' A' ' 18' ' ' LEU . 35.1 mttp -75.61 -29.72 59.31 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.852 1.261 . . . . 0.0 110.199 -177.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -27.78 38.32 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.191 0.997 . . . . 0.0 109.847 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -88.56 -14.66 37.11 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 124.414 1.086 . . . . 0.0 111.447 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.662 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 38.2 t80 -79.42 -36.76 38.5 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 173.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -64.76 -44.32 90.45 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.927 1.691 . . . . 0.0 110.639 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -76.61 -70.0 0.48 Allowed 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 124.217 1.007 . . . . 0.0 108.468 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.76 98.7 10.95 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 124.909 1.284 . . . . 0.0 108.326 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -83.03 -38.63 22.32 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -85.46 66.46 9.69 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 126.848 2.059 . . . . 0.0 106.676 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.92 121.2 24.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.85 2.06 . . . . 0.0 105.755 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -94.17 167.45 11.55 Favored 'General case' 0 CA--C 1.495 -1.147 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.95 -17.0 60.62 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 123.556 0.742 . . . . 0.0 111.416 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -86.77 -35.57 19.09 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.126 1.37 . . . . 0.0 108.833 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -80.04 -38.3 32.21 Favored 'General case' 0 CA--C 1.488 -1.436 0 C-N-CA 124.952 1.301 . . . . 0.0 109.485 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -61.5 -34.28 75.23 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.661 1.184 . . . . 0.0 111.911 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -87.35 -4.88 59.05 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -90.8 -21.68 21.39 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.93 -25.82 48.59 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 171.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -26.88 60.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.63 0.772 . . . . 0.0 110.832 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -74.55 -38.39 62.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 O-C-N 121.876 -0.515 . . . . 0.0 109.745 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.93 -45.81 7.78 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -164.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.92 -29.54 65.61 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.6 37.54 6.48 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 174.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 mt -104.24 -163.81 1.0 Allowed 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.44 -177.95 3.46 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 171.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.18 -39.69 65.41 Favored 'General case' 0 CA--C 1.496 -1.123 0 C-N-CA 124.019 0.927 . . . . 0.0 109.165 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -69.58 -27.79 65.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.282 2.233 . . . . 0.0 112.752 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -70.08 -46.09 65.63 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 124.058 0.943 . . . . 0.0 109.962 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.84 -19.48 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 C-N-CA 125.68 1.592 . . . . 0.0 109.157 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -64.26 -48.48 75.59 Favored 'General case' 0 CA--C 1.494 -1.185 0 C-N-CA 125.91 1.684 . . . . 0.0 110.167 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.06 -43.41 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 C-N-CA 128.385 2.674 . . . . 0.0 110.442 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -62.75 -43.57 98.45 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 124.723 1.209 . . . . 0.0 111.888 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -75.31 -25.68 58.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.291 0.636 . . . . 0.0 110.594 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -70.15 -27.59 64.67 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.095 0.958 . . . . 0.0 111.194 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.88 -47.3 53.78 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.356 1.062 . . . . 0.0 109.579 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt . . . . . 0 C--N 1.358 0.939 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -176.007 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 CA--C 1.503 -0.841 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 p -119.16 -171.19 2.06 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 163.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.68 -33.41 66.5 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 123.53 0.732 . . . . 0.0 110.625 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -77.45 -24.46 50.29 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.468 1.507 . . . . 0.0 111.761 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.15 -41.73 27.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 123.289 0.636 . . . . 0.0 109.528 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.84 -42.67 97.55 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.74 1.216 . . . . 0.0 113.469 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -71.27 -28.78 64.38 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.682 0.793 . . . . 0.0 112.316 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -72.48 -32.54 66.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.035 1.334 . . . . 0.0 110.445 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.62 -22.9 58.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.381 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -78.34 -23.25 47.06 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.082 0.856 . . . . 0.0 109.854 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.23 -22.33 41.89 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.128 0.971 . . . . 0.0 110.015 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.53 -37.59 22.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.382 1.073 . . . . 0.0 109.126 172.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.34 -30.71 68.8 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.684 1.594 . . . . 0.0 112.48 -168.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.77 -40.37 96.52 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 m -92.03 -47.88 7.04 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -118.86 111.05 17.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.82 -163.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.43 -74.2 0.36 Allowed 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 167.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.27 99.53 7.12 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.103 1.361 . . . . 0.0 108.762 -166.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -74.71 169.02 18.68 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.583 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.2 p -94.06 178.15 5.74 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.4 -29.61 63.9 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -82.76 -40.11 20.94 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 124.881 1.272 . . . . 0.0 111.314 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -68.11 -47.43 68.2 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -64.56 -39.61 94.07 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.745 1.218 . . . . 0.0 112.165 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.68 -8.32 59.14 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 122.863 0.465 . . . . 0.0 111.788 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 t -92.64 -18.84 22.52 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.23 -23.17 43.92 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.27 60.66 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.062 0.945 . . . . 0.0 110.882 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -82.1 -28.23 32.42 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 121.822 -0.549 . . . . 0.0 110.027 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -81.63 -69.66 0.6 Allowed 'General case' 0 CA--C 1.491 -1.298 0 C-N-CA 123.892 0.877 . . . . 0.0 112.234 -164.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.18 -26.02 58.73 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 126.299 1.84 . . . . 0.0 107.963 -177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.76 42.72 2.82 Favored Glycine 0 CA--C 1.487 -1.707 0 N-CA-C 107.283 -2.327 . . . . 0.0 107.283 171.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.9 -164.72 1.15 Allowed 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -115.11 -174.15 2.44 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 103.102 -2.925 . . . . 0.0 103.102 164.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.31 -41.17 57.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -64.61 -29.84 70.86 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 127.53 2.332 . . . . 0.0 113.264 -173.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -69.46 -35.75 75.92 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.232 1.013 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.91 -22.46 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 123.388 0.675 . . . . 0.0 109.487 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.96 -32.53 69.42 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.792 0.837 . . . . 0.0 110.699 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.37 -42.75 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 C-N-CA 126.799 2.04 . . . . 0.0 109.407 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -63.04 -30.67 71.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.927 1.691 . . . . 0.0 112.114 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.664 ' HE2' ' CE1' ' A' ' 54' ' ' PHE . 20.6 m-85 -80.36 -28.43 38.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.079 0.952 . . . . 0.0 110.228 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.24 -26.96 62.22 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 118.97 0.804 . . . . 0.0 110.677 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -75.78 -57.59 3.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 124.81 1.244 . . . . 0.0 110.121 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.355 0.848 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -172.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.667 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 21.1 m-30 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.5 p -103.01 -179.08 3.85 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.48 67.61 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.257 1.023 . . . . 0.0 110.97 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.27 -29.52 60.16 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.416 1.486 . . . . 0.0 111.19 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.37 -49.04 12.03 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 123.454 0.702 . . . . 0.0 109.277 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -51.65 -44.61 63.06 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.242 1.817 . . . . 0.0 112.835 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -53.84 -49.15 69.06 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.831 2.052 . . . . 0.0 112.72 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -39.87 95.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.402 1.881 . . . . 0.0 111.787 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.8 -29.53 62.22 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 124.63 1.172 . . . . 0.0 111.851 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -82.24 -21.89 36.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.976 1.31 . . . . 0.0 110.035 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.59 -34.56 35.13 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 109.075 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.95 -54.72 7.31 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.85 1.26 . . . . 0.0 110.259 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 22.5 t80 -73.9 -25.3 59.93 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.693 1.197 . . . . 0.0 111.873 -169.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -71.12 -48.17 53.76 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.851 0.86 . . . . 0.0 110.703 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.4 m -73.05 -69.8 0.4 Allowed 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.268 1.027 . . . . 0.0 108.52 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -100.55 112.72 25.14 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 105.804 -1.925 . . . . 0.0 105.804 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.41 20.13 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -68.95 97.56 0.86 Allowed 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.612 1.565 . . . . 0.0 110.735 -166.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 HD11 ' HE ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -94.62 124.88 38.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 112.858 -1.974 . . . . 0.0 106.372 -171.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.46 ' HG1' ' H ' ' A' ' 35' ' ' ARG . 61.4 p -101.33 178.41 4.65 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.93 -31.84 64.88 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.664 1.186 . . . . 0.0 108.552 173.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -76.92 -38.53 53.26 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 125.523 1.529 . . . . 0.0 110.364 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' H ' ' HG1' ' A' ' 32' ' ' THR . 24.5 mtp85 -72.65 -43.7 62.84 Favored 'General case' 0 CA--C 1.489 -1.367 0 C-N-CA 124.889 1.276 . . . . 0.0 109.446 175.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HE ' HD11 ' A' ' 31' ' ' LEU . 27.8 ttm180 -59.8 -34.0 72.46 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -88.1 -5.64 58.35 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 122.534 0.334 . . . . 0.0 110.826 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.1 m -89.69 -24.53 21.56 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.77 -29.94 56.3 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.24 64.26 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 123.666 0.786 . . . . 0.0 110.37 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -72.81 -40.92 65.44 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.372 0.669 . . . . 0.0 109.8 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -92.51 -45.33 8.18 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -162.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -72.27 -30.39 64.8 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.18 39.09 6.15 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 107.833 -2.107 . . . . 0.0 107.833 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -105.7 -169.01 1.52 Allowed 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -107.53 -179.3 3.87 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 170.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.47 -34.12 58.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 123.781 0.832 . . . . 0.0 109.277 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -70.31 -30.24 67.17 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.432 2.293 . . . . 0.0 112.894 -169.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.86 -31.52 27.93 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.326 0.65 . . . . 0.0 110.115 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 mt -84.51 -15.21 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -48.43 81.21 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.879 1.672 . . . . 0.0 108.763 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.31 -46.64 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.158 0 C-N-CA 128.266 2.626 . . . . 0.0 109.95 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.67 -40.03 90.59 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.527 1.131 . . . . 0.0 112.927 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.47 -31.95 62.4 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 124.03 0.932 . . . . 0.0 111.11 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -71.71 -25.74 62.2 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 111.379 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.7 -44.59 66.61 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.716 1.206 . . . . 0.0 110.091 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 C--N 1.359 0.981 0 C-N-CA 124.59 1.156 . . . . 0.0 112.842 179.605 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.624 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 52.3 m-85 . . . . . 0 N--CA 1.436 -1.132 0 CA-C-O 122.219 1.009 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.7 p -113.2 -176.88 3.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 169.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.37 61.9 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.369 0.668 . . . . 0.0 110.988 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.01 -27.05 61.55 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.955 1.702 . . . . 0.0 111.509 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -87.77 -45.64 10.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 123.653 0.781 . . . . 0.0 109.369 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.84 -40.58 93.35 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.937 1.695 . . . . 0.0 113.287 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -68.08 -29.24 68.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 124.039 0.935 . . . . 0.0 111.908 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -73.87 -35.01 64.69 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.548 1.539 . . . . 0.0 110.622 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.6 mt -74.73 -23.01 58.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 124.046 0.938 . . . . 0.0 111.77 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -82.15 -21.69 36.46 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.416 1.086 . . . . 0.0 109.536 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -30.59 44.69 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.144 0.978 . . . . 0.0 109.752 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -39.35 63.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 124.149 0.979 . . . . 0.0 109.263 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.653 ' HE1' ' CE2' ' A' ' 25' ' ' PHE . 28.5 t80 -69.11 -29.9 68.06 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 125.716 1.606 . . . . 0.0 110.55 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.59 -46.41 69.44 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.448 1.099 . . . . 0.0 110.817 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.9 m -76.88 -69.72 0.5 Allowed 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 124.068 0.947 . . . . 0.0 108.738 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.47 106.36 18.63 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.18 -59.08 2.9 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 123.895 0.878 . . . . 0.0 110.237 -170.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 1.653 ' HE2' ' CE1' ' A' ' 30' ' ' TYR . 90.2 m-85 -95.45 71.05 3.15 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.01 138.28 58.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 128.275 2.63 . . . . 0.0 108.726 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.1 p -92.08 167.53 12.01 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.486 1.115 . . . . 0.0 108.71 -166.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -72.57 -21.65 61.11 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 125.48 1.512 . . . . 0.0 110.052 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.04 -44.26 14.3 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.914 1.286 . . . . 0.0 109.941 -173.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.6 mtp-105 -78.09 -24.11 47.69 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 123.902 0.881 . . . . 0.0 109.695 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -57.79 -20.87 38.58 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -79.19 -16.66 56.24 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 121.423 -0.798 . . . . 0.0 111.188 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 m -87.65 -27.87 22.2 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.79 -21.09 57.71 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 123.529 0.731 . . . . 0.0 109.439 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.21 -26.91 62.22 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.203 1.001 . . . . 0.0 110.764 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -86.53 -22.44 26.36 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.712 -0.618 . . . . 0.0 109.624 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.09 -68.43 0.58 Allowed 'General case' 0 CA--C 1.492 -1.254 0 C-N-CA 124.607 1.163 . . . . 0.0 112.438 -166.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -77.31 -27.21 52.82 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.178 1.391 . . . . 0.0 107.601 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.46 37.38 4.04 Favored Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.43 -158.16 0.65 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -110.64 -167.82 1.23 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -74.58 -45.95 41.9 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 m -56.03 -38.75 70.96 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 129.091 2.956 . . . . 0.0 115.231 -168.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -70.64 -41.51 72.06 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 124.392 1.077 . . . . 0.0 110.492 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 mt -85.6 -14.31 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 126.117 1.767 . . . . 0.0 108.398 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -70.91 -42.63 69.67 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 125.182 1.393 . . . . 0.0 107.963 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.93 -46.61 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 C-N-CA 127.182 2.193 . . . . 0.0 109.538 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -58.02 -46.16 85.74 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.146 1.378 . . . . 0.0 112.377 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -79.15 -24.87 43.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 123.027 0.531 . . . . 0.0 111.148 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.03 -24.66 63.31 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.622 1.101 . . . . 0.0 111.278 176.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -74.83 -56.03 5.2 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 124.077 0.951 . . . . 0.0 109.066 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.356 0.887 0 C-N-CA 124.998 1.319 . . . . 0.0 113.996 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 N--CA 1.437 -1.089 0 CA-C-O 121.451 0.643 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.0 p -115.16 -171.87 2.03 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 104.318 -2.475 . . . . 0.0 104.318 167.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.43 63.24 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 123.929 0.892 . . . . 0.0 110.905 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -79.0 -23.56 44.31 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 125.595 1.558 . . . . 0.0 111.46 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.62 -47.49 11.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.3 -25.73 62.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.063 1.745 . . . . 0.0 113.385 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -57.54 -52.57 64.87 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.502 1.521 . . . . 0.0 111.477 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -62.14 -47.29 85.22 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.932 1.693 . . . . 0.0 111.33 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -69.73 -33.08 71.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 124.207 1.003 . . . . 0.0 113.615 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.89 -24.1 28.64 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 124.308 1.043 . . . . 0.0 109.716 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.58 67.58 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 123.926 0.891 . . . . 0.0 109.967 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -90.55 -12.25 37.66 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 61.6 t80 -71.75 -33.29 68.54 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.013 0.824 . . . . 0.0 109.114 175.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.3 -42.0 90.3 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.865 1.666 . . . . 0.0 111.516 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.9 m -81.39 -72.18 0.44 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -101.03 131.25 47.01 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 125.635 1.574 . . . . 0.0 109.126 -167.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -95.58 -60.76 1.59 Allowed 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 167.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 1.636 ' HE2' ' CE1' ' A' ' 30' ' ' TYR . 70.5 m-85 -79.55 100.36 7.73 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.844 0.857 . . . . 0.0 109.787 -165.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.46 161.34 26.14 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.222 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.4 p -101.69 176.8 5.1 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.35 -25.89 60.79 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -86.77 -35.33 19.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.701 1.201 . . . . 0.0 110.984 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -66.81 -47.5 71.85 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 124.573 1.149 . . . . 0.0 108.544 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -58.52 -36.07 73.27 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.023 1.729 . . . . 0.0 112.952 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.54 -27.31 68.36 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 126.072 1.749 . . . . 0.0 112.132 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -83.61 -34.39 25.13 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.25 -26.56 65.74 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 124.554 1.141 . . . . 0.0 109.698 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.92 63.68 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.717 1.607 . . . . 0.0 111.242 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -76.32 -30.47 57.7 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 121.6 -0.688 . . . . 0.0 110.226 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -68.27 -71.13 0.22 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 mt -77.12 -27.62 54.07 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 125.532 1.533 . . . . 0.0 108.617 -172.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.52 41.25 2.22 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -98.19 -169.33 1.79 Allowed 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -108.41 178.0 4.63 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -73.73 -36.97 65.25 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -65.66 -34.61 78.62 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.943 2.097 . . . . 0.0 111.706 -174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -66.79 -44.95 79.92 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.87 1.268 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.1 mt -86.22 -16.3 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 C-N-CA 124.54 1.136 . . . . 0.0 109.573 -171.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -67.66 -51.96 43.7 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 124.324 1.05 . . . . 0.0 108.976 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.61 -44.9 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.245 0 C-N-CA 128.088 2.555 . . . . 0.0 110.317 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -61.56 -43.99 97.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.177 1.391 . . . . 0.0 112.071 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.605 ' HD1' ' CD2' ' A' ' 54' ' ' PHE . 4.0 m-85 -70.89 -34.56 71.69 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.642 0.655 . . . . 0.0 110.398 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.42 -24.36 63.82 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.039 0.935 . . . . 0.0 112.187 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.05 -44.92 52.52 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.937 1.295 . . . . 0.0 109.789 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--N 1.356 0.87 0 C-N-CA 124.806 1.242 . . . . 0.0 112.379 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 22.2 m-30 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.6 p -104.11 -179.19 3.88 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.27 68.81 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.484 1.113 . . . . 0.0 111.337 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.31 -29.97 60.21 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.45 1.5 . . . . 0.0 110.97 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -78.23 -52.1 9.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.497 1.119 . . . . 0.0 109.487 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -50.48 -47.27 57.22 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.623 1.969 . . . . 0.0 112.916 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -44.68 -59.54 2.44 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.79 2.436 . . . . 0.0 113.439 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.557 1.543 . . . . 0.0 112.3 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.02 -30.81 71.41 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.397 1.079 . . . . 0.0 113.029 -175.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -74.91 -31.14 61.48 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.322 1.049 . . . . 0.0 110.323 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.13 32.24 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.123 0.969 . . . . 0.0 110.399 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -83.1 -36.87 24.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.192 0.997 . . . . 0.0 110.694 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.654 ' HE2' ' CE1' ' A' ' 25' ' ' PHE . 44.0 t80 -76.97 -18.87 57.94 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.106 0.962 . . . . 0.0 110.653 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -66.37 -41.29 89.68 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 109.921 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 m -76.68 -66.26 0.83 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 124.678 1.191 . . . . 0.0 108.459 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.54 91.22 8.72 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.987 1.715 . . . . 0.0 108.077 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -82.43 -48.15 11.43 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 124.594 1.158 . . . . 0.0 108.303 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -86.12 71.68 10.52 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.918 1.687 . . . . 0.0 106.673 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.79 135.44 34.11 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 128.015 2.526 . . . . 0.0 107.614 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.7 p -99.94 172.09 7.44 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 124.334 1.054 . . . . 0.0 108.639 -167.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -20.13 60.2 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.513 1.125 . . . . 0.0 111.216 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -83.5 -36.29 24.21 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.347 1.459 . . . . 0.0 108.777 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -70.8 -47.1 61.29 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.5 1.12 . . . . 0.0 109.066 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -57.31 -35.7 70.16 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.425 1.49 . . . . 0.0 113.681 -174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -85.57 -6.98 59.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 123.313 0.645 . . . . 0.0 110.951 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -97.87 -18.73 18.54 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.44 -23.33 43.21 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -26.89 61.38 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.496 1.118 . . . . 0.0 110.332 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -81.39 -26.57 35.34 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.715 -0.615 . . . . 0.0 110.048 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -81.51 -66.66 0.86 Allowed 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -163.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.81 -27.8 60.45 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 124.904 1.282 . . . . 0.0 108.027 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.09 42.07 2.89 Favored Glycine 0 CA--C 1.49 -1.501 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.9 mt -101.32 -162.11 0.91 Allowed 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -113.36 -179.05 3.53 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 170.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.36 -40.68 64.19 Favored 'General case' 0 CA--C 1.494 -1.189 0 C-N-CA 123.77 0.828 . . . . 0.0 108.79 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -66.7 -34.57 78.15 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 127.21 2.204 . . . . 0.0 112.733 -166.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -70.51 -38.71 74.31 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 123.906 0.882 . . . . 0.0 111.22 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt -86.59 -19.84 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 123.949 0.899 . . . . 0.0 109.253 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -66.0 -42.43 89.74 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 124.478 1.111 . . . . 0.0 109.757 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.61 -47.8 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 C-N-CA 127.709 2.403 . . . . 0.0 109.891 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -61.62 -38.55 88.04 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.607 1.563 . . . . 0.0 112.698 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -73.58 -35.76 65.49 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.354 1.062 . . . . 0.0 109.869 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -78.93 -15.97 57.61 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.91 1.284 . . . . 0.0 112.319 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.65 -44.29 57.19 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.383 1.073 . . . . 0.0 108.172 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 mptt . . . . . 0 C--N 1.355 0.805 0 C-N-CA 124.674 1.19 . . . . 0.0 112.568 178.548 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.621 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 22.5 m-85 . . . . . 0 N--CA 1.435 -1.216 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.3 p -108.36 179.59 4.16 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 168.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.49 71.5 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.133 0.973 . . . . 0.0 111.401 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -82.18 -24.3 35.05 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.774 1.229 . . . . 0.0 111.42 -174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.41 -43.56 27.1 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.57 -49.46 77.45 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 125.276 1.43 . . . . 0.0 110.802 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.02 -51.89 48.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 128.986 2.914 . . . . 0.0 113.366 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.36 -42.3 95.48 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 126.054 1.742 . . . . 0.0 111.307 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.04 -19.88 61.77 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -67.16 -30.59 70.61 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 119.15 0.886 . . . . 0.0 110.676 176.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -37.66 32.15 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 124.253 1.021 . . . . 0.0 109.351 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -69.68 -32.6 71.31 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.593 1.557 . . . . 0.0 110.95 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -58.76 -36.27 74.11 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 125.779 1.631 . . . . 0.0 111.995 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.42 -53.34 29.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.513 1.125 . . . . 0.0 111.551 -176.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.6 m -81.08 -66.91 0.83 Allowed 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 109.033 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.47 81.17 2.31 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 126.213 1.805 . . . . 0.0 107.741 -172.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -83.62 -50.15 8.49 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -88.74 78.82 7.6 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.679 1.592 . . . . 0.0 106.823 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.37 159.33 21.39 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 126.624 1.97 . . . . 0.0 110.768 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -108.19 170.43 8.01 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 173.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -73.8 -27.83 61.33 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.635 0.774 . . . . 0.0 109.371 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -79.38 -33.22 42.98 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.007 1.723 . . . . 0.0 110.729 -171.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -73.26 -50.39 22.54 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -60.0 -27.94 67.29 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -168.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -82.25 -11.39 58.69 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 123.945 0.898 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 t -102.19 -16.06 16.47 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -81.3 -27.22 35.14 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.12 -24.52 59.46 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.884 1.274 . . . . 0.0 109.996 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.98 -31.75 34.65 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.28 -69.7 0.51 Allowed 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 124.079 0.952 . . . . 0.0 113.221 -164.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.61 -31.75 67.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 125.488 1.515 . . . . 0.0 107.65 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.42 42.08 2.43 Favored Glycine 0 CA--C 1.489 -1.564 0 N-CA-C 106.869 -2.492 . . . . 0.0 106.869 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -97.09 -162.46 0.96 Allowed 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -116.45 -179.23 3.62 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 168.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.62 -36.86 62.94 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -60.47 -35.0 74.84 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 127.48 2.312 . . . . 0.0 112.656 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -67.14 -42.88 83.66 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.071 1.348 . . . . 0.0 111.121 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -82.7 -26.23 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.97 1.308 . . . . 0.0 109.587 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -63.56 -40.1 96.12 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.414 1.086 . . . . 0.0 110.63 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.3 mt -70.89 -49.28 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 126.087 1.755 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -58.59 -42.01 87.09 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.428 1.891 . . . . 0.0 112.7 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -73.21 -40.32 64.82 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 124.082 0.953 . . . . 0.0 111.099 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -73.13 -24.75 60.65 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.284 1.034 . . . . 0.0 112.074 -177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -75.6 -38.69 58.87 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.093 1.357 . . . . 0.0 109.064 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt . . . . . 0 N--CA 1.441 -0.902 0 C-N-CA 126.083 1.753 . . . . 0.0 115.213 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.654 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 15.3 m-30 . . . . . 0 N--CA 1.439 -0.987 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -100.32 178.96 4.6 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.82 70.13 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.843 0.857 . . . . 0.0 111.275 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -76.79 -25.24 53.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.186 1.395 . . . . 0.0 111.263 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.84 -53.49 7.04 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.698 0.799 . . . . 0.0 109.255 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.95 -52.86 47.33 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 126.609 1.964 . . . . 0.0 113.405 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.26 -33.14 73.04 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.869 1.268 . . . . 0.0 113.741 -171.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -73.75 -39.29 64.33 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.077 1.351 . . . . 0.0 110.645 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.43 -22.97 56.92 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.109 0.964 . . . . 0.0 111.97 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -84.58 -28.11 26.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 125.038 1.335 . . . . 0.0 109.143 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.37 -16.59 54.15 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.2 1.0 . . . . 0.0 109.841 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -84.84 -46.14 11.63 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 171.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.53 -38.28 63.63 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.949 2.1 . . . . 0.0 113.469 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.91 -54.88 28.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.042 1.337 . . . . 0.0 114.0 -172.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.5 m -91.15 -54.39 3.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -105.44 104.07 13.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.807 1.243 . . . . 0.0 109.22 -166.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -93.71 -73.77 0.56 Allowed 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 1.631 ' HE1' ' CE2' ' A' ' 30' ' ' TYR . 81.1 m-85 -66.99 103.78 1.23 Allowed 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 124.744 1.218 . . . . 0.0 111.995 -162.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.27 157.21 37.5 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 125.782 1.633 . . . . 0.0 109.465 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.424 ' HG1' ' H ' ' A' ' 35' ' ' ARG . 69.3 p -97.62 175.66 6.12 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 168.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.98 -20.95 60.18 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.908 -0.495 . . . . 0.0 110.21 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -91.02 -35.83 14.42 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.934 1.294 . . . . 0.0 110.556 -173.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' H ' ' HG1' ' A' ' 32' ' ' THR . 14.3 ttp180 -81.29 -33.97 32.27 Favored 'General case' 0 CA--C 1.491 -1.309 0 C-N-CA 124.262 1.025 . . . . 0.0 109.448 -177.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.67 -35.71 76.91 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 125.959 1.704 . . . . 0.0 110.956 170.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.28 -23.36 61.18 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.97 1.308 . . . . 0.0 111.19 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -82.73 -27.73 30.93 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.88 -24.37 55.67 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.1 62.37 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.307 1.443 . . . . 0.0 110.478 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -84.17 -19.56 33.9 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.336 0.654 . . . . 0.0 109.814 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.55 -71.07 0.41 Allowed 'General case' 0 CA--C 1.494 -1.191 0 C-N-CA 124.51 1.124 . . . . 0.0 112.351 -169.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.79 -27.8 44.55 Favored 'General case' 0 CA--C 1.493 -1.218 0 C-N-CA 125.809 1.644 . . . . 0.0 108.087 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.71 38.45 3.43 Favored Glycine 0 CA--C 1.49 -1.52 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 mt -97.45 -166.92 1.45 Allowed 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -105.95 179.45 4.26 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.24 -40.98 62.03 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-O 121.953 0.882 . . . . 0.0 109.164 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 t -67.54 -39.75 85.0 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 127.164 2.185 . . . . 0.0 111.362 -167.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.63 -41.19 92.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 124.973 1.309 . . . . 0.0 111.481 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.9 mt -85.94 -22.62 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 124.029 0.932 . . . . 0.0 109.564 -171.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.53 -47.98 74.06 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.247 1.019 . . . . 0.0 109.55 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.66 -45.53 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.278 0 C-N-CA 128.015 2.526 . . . . 0.0 110.182 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.19 -45.43 91.09 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.459 1.504 . . . . 0.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.11 -39.06 82.9 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.987 0.915 . . . . 0.0 109.967 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.88 -23.19 62.25 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.627 1.171 . . . . 0.0 112.794 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -75.63 -39.32 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 109.666 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 CA--C 1.503 -0.836 0 C-N-CA 125.44 1.496 . . . . 0.0 112.15 178.684 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 N--CA 1.438 -1.04 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.4 p -111.66 -176.11 2.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.65 67.25 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.624 0.769 . . . . 0.0 110.592 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -25.5 54.05 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.894 1.678 . . . . 0.0 111.713 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -86.58 -47.89 8.82 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -175.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -51.65 -50.29 60.63 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.141 1.776 . . . . 0.0 113.341 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -62.67 -36.4 82.75 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.871 1.269 . . . . 0.0 113.787 -170.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -74.65 -36.76 62.85 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 123.995 0.918 . . . . 0.0 110.901 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -70.95 -21.29 62.35 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.136 0.974 . . . . 0.0 112.619 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -79.54 -19.51 49.36 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.383 1.073 . . . . 0.0 110.326 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.98 -30.52 35.05 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.868 0.867 . . . . 0.0 109.581 172.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.14 -33.06 63.41 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.07 0.948 . . . . 0.0 109.976 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.67 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 31.2 t80 -67.39 -44.09 79.75 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.775 1.63 . . . . 0.0 109.773 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.36 -45.46 94.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.164 1.786 . . . . 0.0 112.252 -171.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -77.46 -70.15 0.49 Allowed 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -110.62 130.63 55.52 Favored 'General case' 0 N--CA 1.427 -1.608 0 C-N-CA 124.643 1.177 . . . . 0.0 109.062 -169.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -107.08 1.13 24.02 Favored 'General case' 0 CA--C 1.5 -0.949 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 161.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.14 75.28 10.35 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 126.393 1.877 . . . . 0.0 106.589 167.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD23 ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -97.42 120.26 37.46 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -172.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -100.45 174.17 6.23 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.02 -22.95 59.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 123.488 0.715 . . . . 0.0 110.39 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -86.39 -33.89 20.36 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 124.898 1.279 . . . . 0.0 109.825 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HE ' HD23 ' A' ' 31' ' ' LEU . 64.2 mtp85 -71.86 -47.26 54.22 Favored 'General case' 0 CA--C 1.49 -1.337 0 C-N-CA 124.626 1.17 . . . . 0.0 108.826 173.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -56.56 -38.8 72.45 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.533 1.533 . . . . 0.0 113.31 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.81 -9.52 58.08 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 122.898 0.479 . . . . 0.0 110.924 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -94.1 -20.93 19.45 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.11 -30.39 49.46 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.58 -25.2 56.83 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 124.454 1.102 . . . . 0.0 110.976 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -78.38 -33.89 48.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -84.66 -62.85 1.45 Allowed 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -160.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -74.57 -27.34 60.45 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 124.716 1.206 . . . . 0.0 108.219 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.77 44.39 3.14 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.02 -167.9 1.77 Allowed 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -114.31 -178.51 3.39 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 163.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.44 -40.67 64.02 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.216 1.006 . . . . 0.0 109.725 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -65.36 -29.35 70.06 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 127.422 2.289 . . . . 0.0 112.781 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -72.57 -34.13 67.25 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.485 1.114 . . . . 0.0 110.975 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mt -85.34 -21.83 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 123.516 0.727 . . . . 0.0 109.633 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.9 -37.85 88.91 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 124.358 1.063 . . . . 0.0 110.52 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.02 -48.3 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.273 0 C-N-CA 126.614 1.966 . . . . 0.0 108.81 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -59.5 -39.75 84.81 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.76 2.024 . . . . 0.0 113.791 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -73.98 -36.93 64.59 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 123.77 0.828 . . . . 0.0 110.078 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -77.18 -15.63 59.43 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.367 1.067 . . . . 0.0 111.968 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -74.1 -39.12 63.61 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.836 1.255 . . . . 0.0 109.038 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.354 0.793 0 C-N-CA 124.279 1.031 . . . . 0.0 111.187 175.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 . . . . . 0 N--CA 1.443 -0.778 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.0 p -90.53 178.57 6.07 Favored 'General case' 0 C--N 1.359 0.981 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -35.41 70.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.225 0.61 . . . . 0.0 110.999 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -83.84 -25.29 30.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 124.313 1.045 . . . . 0.0 111.62 -175.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.49 -46.19 64.22 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.991 0.916 . . . . 0.0 109.138 176.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.07 -48.12 79.35 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.72 1.608 . . . . 0.0 110.973 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.6 -48.57 69.14 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.735 2.414 . . . . 0.0 113.492 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -63.85 -40.74 97.3 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 111.165 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.03 -21.5 59.93 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 118.569 -0.729 . . . . 0.0 112.611 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -70.63 -30.0 66.52 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.23 0.923 . . . . 0.0 109.555 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.11 45.26 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.209 1.004 . . . . 0.0 109.194 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -87.6 2.87 49.69 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.16 0.984 . . . . 0.0 110.66 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.88 -45.44 14.22 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -68.27 -44.99 74.32 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 125.186 1.394 . . . . 0.0 110.416 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 m -80.02 -68.7 0.65 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.847 0.859 . . . . 0.0 109.04 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -101.76 70.38 1.25 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 125.241 1.416 . . . . 0.0 108.968 -168.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -63.69 1.07 Allowed 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 126.157 1.783 . . . . 0.0 110.975 -174.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -92.06 76.94 5.39 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.33 149.02 7.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 127.275 2.23 . . . . 0.0 111.287 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.38 173.93 7.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.62 -19.88 60.74 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.645 0.778 . . . . 0.0 110.305 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -91.3 -43.0 10.06 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.988 0.915 . . . . 0.0 109.587 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -63.88 -46.1 86.44 Favored 'General case' 0 CA--C 1.493 -1.248 0 C-N-CA 124.759 1.223 . . . . 0.0 110.751 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttp-105 -63.36 -38.67 92.06 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 124.611 1.164 . . . . 0.0 111.064 -176.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.22 -28.06 69.78 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 126.464 1.905 . . . . 0.0 112.889 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -81.28 -33.28 32.76 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.102 0.561 . . . . 0.0 109.908 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.73 -27.12 63.73 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.63 63.14 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 126.218 1.807 . . . . 0.0 111.554 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.01 -30.41 58.49 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 121.45 -0.781 . . . . 0.0 110.045 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -79.65 -68.84 0.63 Allowed 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 122.932 0.493 . . . . 0.0 112.065 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.33 -27.27 68.91 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 125.913 1.685 . . . . 0.0 109.956 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.48 36.36 5.92 Favored Glycine 0 CA--C 1.489 -1.566 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 173.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.76 -167.7 1.6 Allowed 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -112.34 179.64 3.93 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.412 -2.44 . . . . 0.0 104.412 170.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.59 -37.25 68.2 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -67.8 -32.98 73.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.942 2.097 . . . . 0.0 112.123 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -67.95 -44.72 76.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.742 1.217 . . . . 0.0 110.722 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.0 mt -81.33 -23.8 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 124.691 1.197 . . . . 0.0 109.511 -174.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -51.18 67.19 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.516 1.126 . . . . 0.0 108.945 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -43.78 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 C-N-CA 127.794 2.437 . . . . 0.0 110.784 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.23 -37.96 84.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.724 1.609 . . . . 0.0 112.307 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.86 -27.58 60.32 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.367 0.667 . . . . 0.0 110.608 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -79.69 -25.04 41.33 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.178 0.991 . . . . 0.0 111.347 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.32 -36.58 63.71 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.282 1.433 . . . . 0.0 109.695 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt . . . . . 0 C--N 1.352 0.71 0 C-N-CA 125.308 1.443 . . . . 0.0 112.419 178.341 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 . . . . . 0 CA--C 1.502 -0.895 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -104.21 -178.43 3.66 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 175.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.15 67.76 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 124.13 0.972 . . . . 0.0 111.607 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.13 -29.57 48.89 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.955 1.302 . . . . 0.0 110.757 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.6 -44.4 24.12 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 123.907 0.883 . . . . 0.0 109.673 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.77 -45.95 85.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.598 1.559 . . . . 0.0 111.776 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -51.57 -51.18 57.57 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.63 1.972 . . . . 0.0 113.118 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -45.87 92.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 126.67 1.988 . . . . 0.0 111.407 -178.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 mt -75.43 -28.25 59.28 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -82.05 -22.28 36.48 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 123.991 0.916 . . . . 0.0 109.741 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.28 -36.92 63.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.072 0.949 . . . . 0.0 110.056 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -91.49 -9.17 45.45 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.663 ' HD1' ' CD2' ' A' ' 25' ' ' PHE . 13.4 t80 -90.68 22.83 3.33 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-O 122.761 1.267 . . . . 0.0 109.718 172.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -89.64 -56.94 3.05 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -90.82 -63.74 1.23 Allowed 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -87.12 114.92 24.15 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.847 1.259 . . . . 0.0 110.643 -165.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -95.71 -50.68 4.83 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 170.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.61 91.83 7.02 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 108.991 -167.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.04 156.62 21.02 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 114.809 -1.087 . . . . 0.0 108.107 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -106.79 -176.11 2.99 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.95 -17.56 61.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.798 0.839 . . . . 0.0 110.366 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -93.25 -48.51 6.41 Favored 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 124.503 1.121 . . . . 0.0 110.128 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -62.68 -44.32 96.56 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 125.481 1.512 . . . . 0.0 111.23 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -65.72 -39.7 91.46 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.111 0.964 . . . . 0.0 110.729 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.41 -23.18 66.26 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 126.325 1.85 . . . . 0.0 112.974 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -78.77 -40.26 33.69 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 123.119 0.568 . . . . 0.0 109.78 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -32.91 73.81 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 123.882 0.873 . . . . 0.0 108.881 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.35 62.48 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.748 2.019 . . . . 0.0 111.718 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -72.78 -33.85 66.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 121.636 -0.665 . . . . 0.0 109.494 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.28 -58.39 3.31 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.06 -31.0 64.12 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 125.333 1.453 . . . . 0.0 109.432 -173.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.24 34.34 5.91 Favored Glycine 0 CA--C 1.49 -1.48 0 N-CA-C 106.787 -2.525 . . . . 0.0 106.787 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -90.93 -176.76 4.75 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -108.82 179.79 4.08 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.04 -36.96 67.02 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 124.41 1.084 . . . . 0.0 109.178 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -72.6 -24.48 61.09 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 126.747 2.019 . . . . 0.0 111.956 -173.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -73.94 -47.48 37.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.3 mt -80.48 -18.23 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 C-N-CA 124.76 1.224 . . . . 0.0 109.537 -174.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -61.32 -54.56 42.34 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.589 1.556 . . . . 0.0 109.829 174.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.46 -45.27 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 C-N-CA 127.531 2.333 . . . . 0.0 110.249 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -58.83 -39.85 82.46 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.366 1.466 . . . . 0.0 112.808 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.649 ' HD1' ' CD2' ' A' ' 54' ' ' PHE . 2.0 m-85 -67.49 -38.88 85.01 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 118.889 0.768 . . . . 0.0 110.612 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -73.36 -22.39 60.29 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.375 1.07 . . . . 0.0 112.156 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -76.11 -41.62 49.64 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.561 1.545 . . . . 0.0 110.217 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt . . . . . 0 CA--C 1.502 -0.873 0 C-N-CA 125.002 1.321 . . . . 0.0 111.593 179.571 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.644 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 96.3 m-85 . . . . . 0 CA--C 1.5 -0.979 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 p -110.43 -178.44 3.5 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 169.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.88 69.02 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 124.066 0.946 . . . . 0.0 111.326 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -75.97 -25.2 55.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 125.451 1.5 . . . . 0.0 111.699 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -86.34 -42.48 13.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 123.422 0.689 . . . . 0.0 109.475 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.26 -49.88 75.57 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.29 1.436 . . . . 0.0 112.49 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.7 -33.47 76.03 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 124.92 1.288 . . . . 0.0 113.346 -171.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -75.69 -33.26 60.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.151 0.98 . . . . 0.0 110.688 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.5 mt -73.59 -20.44 60.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 123.766 0.826 . . . . 0.0 111.891 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.9 -29.53 66.75 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.823 0.738 . . . . 0.0 110.181 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.28 -30.9 33.89 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.258 1.023 . . . . 0.0 109.957 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.11 -5.7 56.24 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.112 0.965 . . . . 0.0 110.425 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.58 -40.73 95.81 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.932 1.693 . . . . 0.0 110.911 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.8 m -74.91 -69.06 0.49 Allowed 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 124.348 1.059 . . . . 0.0 108.192 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -106.45 106.09 16.45 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.065 1.346 . . . . 0.0 107.925 -174.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -93.76 -45.47 7.66 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.9 m-85 -83.91 78.6 9.7 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tp -85.45 146.36 26.99 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 125.638 1.575 . . . . 0.0 108.402 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.474 ' HG1' ' H ' ' A' ' 34' ' ' GLN . 22.3 p -98.5 172.66 7.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.48 -22.05 60.26 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.418 0.687 . . . . 0.0 110.462 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.474 ' H ' ' HG1' ' A' ' 32' ' ' THR . 30.6 mm100 -93.04 -24.24 18.39 Favored 'General case' 0 C--N 1.359 0.978 0 C-N-CA 124.783 1.233 . . . . 0.0 111.542 -175.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -59.87 -36.42 76.87 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 126.178 1.791 . . . . 0.0 111.658 171.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -66.05 -27.57 68.19 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 125.648 1.579 . . . . 0.0 111.131 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.3 m -83.11 -29.71 28.5 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.9 -26.62 59.77 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.49 60.32 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.595 1.558 . . . . 0.0 111.142 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -84.29 -21.45 31.04 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 121.597 -0.69 . . . . 0.0 109.787 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -77.73 -68.39 0.63 Allowed 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.002 0.921 . . . . 0.0 112.78 -167.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -76.75 -27.05 55.21 Favored 'General case' 0 CA--C 1.494 -1.175 0 C-N-CA 125.659 1.584 . . . . 0.0 108.041 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.13 43.24 2.62 Favored Glycine 0 CA--C 1.488 -1.599 0 N-CA-C 107.357 -2.297 . . . . 0.0 107.357 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -97.96 -167.58 1.54 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.56 173.1 6.45 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.76 -33.41 62.3 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.406 0.682 . . . . 0.0 109.545 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -72.52 -23.65 61.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.541 1.936 . . . . 0.0 112.279 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -67.64 -47.87 68.32 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.534 1.134 . . . . 0.0 109.447 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mt -84.12 -16.52 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 126.223 1.809 . . . . 0.0 109.261 -168.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -66.06 -51.25 59.88 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 125.034 1.333 . . . . 0.0 109.718 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.91 -45.53 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 C-N-CA 127.818 2.447 . . . . 0.0 109.922 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -60.63 -40.55 92.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.411 1.485 . . . . 0.0 112.717 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.663 ' HE2' ' CE1' ' A' ' 54' ' ' PHE . 2.4 m-85 -73.57 -36.31 65.57 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 123.359 0.664 . . . . 0.0 110.516 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -72.92 -21.4 60.9 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 118.818 0.735 . . . . 0.0 111.774 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -72.14 -44.72 62.68 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.685 1.194 . . . . 0.0 109.849 172.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 C--N 1.353 0.732 0 C-N-CA 124.536 1.134 . . . . 0.0 112.957 -177.718 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 . . . . . 0 CA--C 1.5 -0.953 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -105.23 -175.79 2.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.9 68.26 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 124.282 1.033 . . . . 0.0 111.3 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -79.39 -26.73 41.9 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.073 1.349 . . . . 0.0 111.127 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -79.7 -42.57 24.39 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 123.614 0.766 . . . . 0.0 109.617 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.46 -41.87 90.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.254 1.422 . . . . 0.0 111.792 174.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.17 -51.01 65.7 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.461 1.904 . . . . 0.0 112.502 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.83 -49.27 77.22 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 126.8 2.04 . . . . 0.0 111.619 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.17 -20.68 47.84 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -78.79 -20.12 50.55 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.77 0.714 . . . . 0.0 109.918 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -32.76 39.22 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 109.038 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -75.32 -36.96 61.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.631 1.172 . . . . 0.0 110.361 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 25' ' ' PHE . 50.0 t80 -67.2 -40.21 86.43 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.481 1.912 . . . . 0.0 109.864 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.49 -46.0 88.12 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 111.292 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -76.1 -70.26 0.45 Allowed 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -109.66 100.13 9.2 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.585 1.554 . . . . 0.0 107.862 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -76.51 -38.28 55.44 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 1.635 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 68.2 m-85 -82.9 73.96 9.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 126.682 1.993 . . . . 0.0 106.789 174.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.64 133.65 34.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 129.291 3.036 . . . . 0.0 104.23 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -89.36 150.95 22.33 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.4 -7.33 51.24 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.15 0.58 . . . . 0.0 111.746 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -93.69 -39.81 10.58 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 124.735 1.214 . . . . 0.0 109.888 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -87.73 -18.4 29.54 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 125.567 1.547 . . . . 0.0 108.572 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -57.27 -30.72 64.92 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 124.731 1.212 . . . . 0.0 112.251 161.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -76.47 -15.4 59.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 123.296 0.638 . . . . 0.0 110.713 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -81.4 -34.29 31.71 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.102 0.961 . . . . 0.0 108.646 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.46 61.74 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 125.774 1.629 . . . . 0.0 110.91 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.8 -26.96 49.98 Favored 'General case' 0 C--N 1.361 1.095 0 O-C-N 121.791 -0.568 . . . . 0.0 110.409 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -77.16 -63.89 1.26 Allowed 'General case' 0 CA--C 1.492 -1.25 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -172.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.44 -29.08 59.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 125.581 1.552 . . . . 0.0 108.914 -172.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.17 34.16 5.99 Favored Glycine 0 CA--C 1.488 -1.61 0 N-CA-C 106.466 -2.653 . . . . 0.0 106.466 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -89.94 -173.77 4.0 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -111.24 -173.51 2.26 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 174.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.93 -45.03 52.97 Favored 'General case' 0 CA--C 1.494 -1.192 0 C-N-CA 123.958 0.903 . . . . 0.0 108.705 172.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -69.51 -30.38 68.22 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 126.747 2.019 . . . . 0.0 112.225 -165.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -68.32 -42.48 79.3 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.821 1.248 . . . . 0.0 110.436 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.6 mt -80.86 -28.82 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 C-N-CA 125.059 1.344 . . . . 0.0 109.775 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -62.65 -44.72 95.56 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.715 1.206 . . . . 0.0 111.309 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.21 -47.0 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 C-N-CA 126.423 1.889 . . . . 0.0 109.488 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -60.16 -36.15 76.9 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 125.724 1.609 . . . . 0.0 112.813 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.86 -43.39 75.49 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 119.494 1.043 . . . . 0.0 110.283 -177.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.05 -24.11 60.66 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.922 0.889 . . . . 0.0 111.98 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.12 -43.15 68.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.868 1.267 . . . . 0.0 110.071 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt . . . . . 0 C--N 1.355 0.808 0 C-N-CA 124.887 1.275 . . . . 0.0 112.826 -177.52 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.657 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 45.7 m-85 . . . . . 0 N--CA 1.439 -0.993 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -111.72 -174.07 2.38 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 171.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.74 68.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 123.775 0.83 . . . . 0.0 110.71 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -77.18 -27.43 53.63 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.526 1.53 . . . . 0.0 111.605 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.9 -42.83 17.25 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.64 -50.13 72.96 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.403 1.481 . . . . 0.0 111.119 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -46.24 -55.3 7.37 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 128.027 2.531 . . . . 0.0 113.554 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -48.95 70.21 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 127.714 2.406 . . . . 0.0 112.011 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.2 mt -76.34 -20.94 56.74 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.033 0.933 . . . . 0.0 113.311 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -84.3 -22.18 30.76 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 124.836 1.254 . . . . 0.0 109.658 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.68 63.48 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.86 -24.65 44.2 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.611 0.764 . . . . 0.0 111.721 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.615 ' HE2' ' CE1' ' A' ' 25' ' ' PHE . 54.6 t80 -67.67 -35.95 79.81 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.96 1.255 . . . . 0.0 109.718 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -71.91 -50.76 26.38 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.615 1.166 . . . . 0.0 111.094 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -81.37 -67.21 0.8 Allowed 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 123.098 0.559 . . . . 0.0 109.657 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -113.83 79.7 1.28 Allowed 'General case' 0 N--CA 1.432 -1.341 0 C-N-CA 125.729 1.611 . . . . 0.0 107.982 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -50.02 71.19 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.148 1.379 . . . . 0.0 109.562 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -79.58 92.89 5.37 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 125.76 1.624 . . . . 0.0 108.504 -169.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 mt -78.7 154.35 30.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.448 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.7 p -104.5 174.61 5.8 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 169.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.76 -23.0 59.67 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 118.186 0.448 . . . . 0.0 109.806 173.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' HA ' HE21 ' A' ' 37' ' ' GLN . 6.7 tm0? -77.92 -45.45 24.0 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.34 1.456 . . . . 0.0 109.524 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.72 -47.37 81.38 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.84 1.256 . . . . 0.0 109.693 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.09 -34.11 75.69 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 125.339 1.456 . . . . 0.0 113.615 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 34' ' ' GLN . 18.4 pt20 -87.54 -4.87 58.97 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 122.332 -0.23 . . . . 0.0 110.72 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -85.57 -29.76 23.88 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -74.71 -24.48 58.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.284 1.033 . . . . 0.0 108.477 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.15 61.22 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.472 1.109 . . . . 0.0 110.93 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -76.26 -38.26 56.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.79 -69.2 0.38 Allowed 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.68 -29.0 62.05 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 125.362 1.465 . . . . 0.0 108.625 -173.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.95 33.01 4.18 Favored Glycine 0 CA--C 1.489 -1.572 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.97 -162.14 0.91 Allowed 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.32 -169.86 1.88 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -74.22 -44.45 53.13 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 169.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -59.49 -36.95 77.02 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 127.776 2.431 . . . . 0.0 113.746 -169.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -66.67 -39.03 87.99 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.184 1.394 . . . . 0.0 111.097 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mt -88.19 -19.72 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 C-N-CA 125.345 1.458 . . . . 0.0 109.86 -171.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.79 -45.63 81.69 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 120.972 -1.08 . . . . 0.0 109.209 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.85 -46.55 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 C-N-CA 127.071 2.148 . . . . 0.0 109.734 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -62.27 -41.5 98.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.387 1.475 . . . . 0.0 112.899 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.3 -25.96 59.9 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.632 0.651 . . . . 0.0 110.905 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.76 -28.52 44.83 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 111.299 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -72.0 -39.96 68.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.445 1.498 . . . . 0.0 110.591 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt . . . . . 0 CA--C 1.502 -0.886 0 C-N-CA 125.889 1.676 . . . . 0.0 114.016 -175.484 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.662 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 9.9 m-85 . . . . . 0 N--CA 1.436 -1.143 0 CA-C-O 121.71 0.766 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.8 p -115.72 -175.39 2.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 171.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.3 -27.92 63.75 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 123.935 0.894 . . . . 0.0 110.583 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.06 -25.42 59.82 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.881 1.672 . . . . 0.0 111.694 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -84.21 -49.7 8.57 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 68.1 mt -56.96 -42.74 80.67 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -175.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.496 1.118 . . . . 0.0 113.197 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -68.1 -43.96 77.3 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.305 1.442 . . . . 0.0 109.937 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.91 -24.26 61.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 125.277 1.431 . . . . 0.0 112.016 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.433 ' HZ1' ' HB3' ' A' ' 18' ' ' LEU . 31.9 mttp -81.31 -22.29 38.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.412 1.485 . . . . 0.0 110.234 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.33 33.13 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.526 0.73 . . . . 0.0 109.273 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -72.04 -34.4 68.76 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.503 1.121 . . . . 0.0 110.355 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.655 ' HE2' ' CE1' ' A' ' 25' ' ' PHE . 53.6 t80 -48.97 -31.72 7.91 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.133 2.573 . . . . 0.0 113.887 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -65.79 -59.73 3.6 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 124.285 1.034 . . . . 0.0 111.846 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.1 m -84.38 -65.98 0.95 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -105.22 97.12 7.01 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 126.077 1.751 . . . . 0.0 107.758 -170.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -92.25 -71.51 0.64 Allowed 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 1.608 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 54.0 m-85 -91.82 84.76 5.44 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 173.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 178.42 0.12 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.296 2.238 . . . . 0.0 110.954 169.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.5 p -82.92 175.41 10.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 125.199 1.4 . . . . 0.0 107.86 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -73.74 -17.89 61.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.592 0.757 . . . . 0.0 110.524 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -94.57 -36.0 12.0 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 111.103 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -84.11 -33.7 24.28 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 124.103 0.961 . . . . 0.0 109.813 -174.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -63.85 -38.79 92.39 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.49 1.116 . . . . 0.0 109.159 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.64 -25.6 66.66 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 126.261 1.824 . . . . 0.0 111.773 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -80.66 -28.72 36.77 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 122.145 -0.347 . . . . 0.0 110.574 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -73.55 -29.55 62.51 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.99 -24.84 59.66 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 125.746 1.618 . . . . 0.0 111.8 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -79.68 -31.89 41.39 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 121.677 -0.639 . . . . 0.0 109.844 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.54 -58.26 2.42 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -165.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.5 -31.83 71.38 Favored 'General case' 0 CA--C 1.498 -1.031 0 C-N-CA 124.268 1.027 . . . . 0.0 108.525 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 40.98 4.07 Favored Glycine 0 CA--C 1.491 -1.437 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.2 mt -93.46 -170.7 2.43 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -118.68 169.61 9.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 103.967 -2.605 . . . . 0.0 103.967 168.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.12 -30.93 65.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.869 0.868 . . . . 0.0 110.231 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 t -65.84 -39.24 90.62 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.8 2.04 . . . . 0.0 111.483 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.5 -32.32 66.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.133 0.973 . . . . 0.0 111.713 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -83.79 -28.66 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.325 1.05 . . . . 0.0 109.166 -174.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.462 ' HZ1' HE22 ' A' ' 55' ' ' GLN . 63.6 tttm -60.01 -47.95 83.73 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.606 1.562 . . . . 0.0 109.744 176.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -46.14 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 C-N-CA 128.107 2.563 . . . . 0.0 110.751 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -58.08 -46.19 85.89 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.442 1.897 . . . . 0.0 113.06 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -76.65 -25.45 53.76 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.748 0.819 . . . . 0.0 110.739 -176.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.462 HE22 ' HZ1' ' A' ' 51' ' ' LYS . 87.0 mt-30 -83.59 -19.07 36.19 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 124.726 1.21 . . . . 0.0 111.699 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -77.18 -40.77 44.09 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 124.895 1.278 . . . . 0.0 108.322 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 C--N 1.352 0.698 0 C-N-CA 124.413 1.085 . . . . 0.0 112.026 176.53 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.622 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 16.7 m-30 . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.2 p -100.18 179.78 4.37 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.8 70.18 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 123.999 0.919 . . . . 0.0 111.274 -176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.89 -24.33 52.55 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.202 1.401 . . . . 0.0 111.409 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -80.42 -51.15 9.16 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.064 0.946 . . . . 0.0 109.571 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.37 -50.69 66.91 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 126.637 1.975 . . . . 0.0 113.014 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.52 -28.89 68.91 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.592 1.157 . . . . 0.0 113.182 -172.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -71.86 -35.94 69.97 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.359 1.464 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.0 mt -75.78 -28.19 58.31 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 123.925 0.89 . . . . 0.0 111.441 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -72.88 -29.16 62.95 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 123.728 0.811 . . . . 0.0 110.106 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.35 58.26 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.78 1.232 . . . . 0.0 110.13 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.79 -40.89 63.09 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.06 1.344 . . . . 0.0 109.782 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.594 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 9.0 t80 -58.8 -26.6 64.26 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.003 2.521 . . . . 0.0 112.493 -176.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -58.47 -51.42 69.91 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.976 1.31 . . . . 0.0 112.246 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 m -86.37 -67.93 0.78 Allowed 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -115.36 115.68 27.0 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 125.351 1.461 . . . . 0.0 108.521 -167.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -86.3 -46.01 10.71 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 1.662 ' HD1' ' CD2' ' A' ' 30' ' ' TYR . 94.6 m-85 -73.56 97.9 2.71 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 126.105 1.762 . . . . 0.0 109.72 -162.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD21 HH21 ' A' ' 35' ' ' ARG . 69.6 mt -75.87 149.3 37.83 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.081 177.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.461 ' HG1' ' H ' ' A' ' 34' ' ' GLN . 82.3 p -101.59 -177.4 3.42 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.43 -22.33 61.11 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.605 0.762 . . . . 0.0 109.29 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' H ' ' HG1' ' A' ' 32' ' ' THR . 64.9 tp60 -91.01 -48.37 7.03 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.033 0.933 . . . . 0.0 110.613 -174.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.517 HH21 HD21 ' A' ' 31' ' ' LEU . 39.3 mtp85 -61.45 -46.08 91.57 Favored 'General case' 0 CA--C 1.494 -1.206 0 C-N-CA 125.402 1.481 . . . . 0.0 111.173 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -64.92 -39.83 94.12 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.214 1.406 . . . . 0.0 110.992 -174.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -66.5 -26.7 67.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 125.842 1.657 . . . . 0.0 111.959 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -83.02 -25.85 31.79 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.689 0.396 . . . . 0.0 110.089 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.86 -22.07 58.89 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 123.682 0.793 . . . . 0.0 109.025 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.13 65.34 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.469 1.108 . . . . 0.0 111.365 176.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -86.0 -20.39 28.96 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 121.483 -0.761 . . . . 0.0 109.506 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -76.09 -68.6 0.57 Allowed 'General case' 0 CA--C 1.493 -1.242 0 C-N-CA 124.009 0.924 . . . . 0.0 112.262 -167.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.1 mt -79.12 -27.87 42.9 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 125.454 1.501 . . . . 0.0 107.55 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.07 37.89 3.49 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 106.941 -2.464 . . . . 0.0 106.941 174.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.44 -156.75 0.58 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -117.41 -172.08 2.16 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 171.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.22 -43.64 56.32 Favored 'General case' 0 CA--C 1.496 -1.131 0 C-N-CA 124.383 1.073 . . . . 0.0 109.626 173.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -67.64 -33.81 75.7 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.092 2.157 . . . . 0.0 112.724 -166.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -72.19 -34.78 68.66 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.135 0.974 . . . . 0.0 111.343 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.05 -20.16 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 C-N-CA 125.005 1.322 . . . . 0.0 108.694 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -66.96 -43.64 82.59 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.855 1.262 . . . . 0.0 109.499 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.17 -45.1 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 128.291 2.636 . . . . 0.0 110.282 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.06 -40.09 88.26 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 125.9 1.68 . . . . 0.0 112.252 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.662 ' HE2' ' CE1' ' A' ' 54' ' ' PHE . 6.4 m-85 -77.45 -25.25 50.44 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.357 0.663 . . . . 0.0 111.169 -176.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.82 -18.08 38.86 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.273 1.029 . . . . 0.0 111.059 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -78.2 -37.3 45.91 Favored 'General case' 0 CA--C 1.503 -0.828 0 C-N-CA 124.847 1.259 . . . . 0.0 108.858 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? . . . . . 0 N--CA 1.445 -0.705 0 C-N-CA 125.627 1.571 . . . . 0.0 111.642 177.207 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.666 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 49.5 m-85 . . . . . 0 CA--C 1.495 -1.159 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -101.29 -179.0 3.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 175.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.02 70.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 123.296 0.638 . . . . 0.0 111.166 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -79.05 -25.25 43.17 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 125.201 1.401 . . . . 0.0 111.724 -176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.17 -44.12 18.34 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -55.17 -53.93 49.71 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.686 1.595 . . . . 0.0 112.65 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.72 -29.51 69.52 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.191 1.397 . . . . 0.0 113.321 -171.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -66.04 -41.28 91.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.177 1.791 . . . . 0.0 110.102 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.08 -21.09 54.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 112.429 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.09 -32.71 69.4 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.95 -25.09 37.66 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.778 1.231 . . . . 0.0 110.631 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -79.36 -43.94 22.5 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.53 31.24 1.37 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.605 1.162 . . . . 0.0 110.903 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -92.66 -62.07 1.47 Allowed 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.254 1.821 . . . . 0.0 106.561 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -86.39 -59.67 2.21 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -83.2 110.26 17.91 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.025 1.33 . . . . 0.0 109.912 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -97.01 -23.09 16.44 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 168.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -85.08 65.48 9.26 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 126.75 2.02 . . . . 0.0 107.831 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tt -100.12 129.43 46.15 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.4 p -94.43 155.94 16.72 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -170.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.82 -11.19 60.3 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.779 1.232 . . . . 0.0 111.094 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.47 -48.15 10.62 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.79 -22.25 34.3 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.926 -0.484 . . . . 0.0 110.86 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.537 HH11 ' HA ' ' A' ' 51' ' ' LYS . 6.6 ttm180 -53.31 -23.25 8.74 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.13 1.372 . . . . 0.0 113.902 167.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -88.29 -9.51 52.61 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 121.852 -0.53 . . . . 0.0 109.913 -174.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 t -97.4 -22.94 16.32 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.85 -28.06 63.3 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 170.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.69 -28.49 62.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.57 1.148 . . . . 0.0 111.628 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.82 -32.87 62.08 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 121.335 -0.853 . . . . 0.0 110.654 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -85.56 -50.03 7.56 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -164.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -72.91 -29.1 62.87 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 35.57 6.56 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.4 mt -101.92 -165.0 1.14 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -106.1 -178.7 3.73 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.72 -39.88 66.59 Favored 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 123.857 0.863 . . . . 0.0 109.064 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.914 2.486 . . . . 0.0 112.837 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -68.59 -46.31 69.7 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.176 0.99 . . . . 0.0 110.289 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 mt -81.43 -18.12 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 109.362 -174.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HA ' HH11 ' A' ' 36' ' ' ARG . 78.8 tttt -66.1 -47.77 73.12 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.659 1.184 . . . . 0.0 109.849 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -59.84 -45.05 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 128.098 2.559 . . . . 0.0 110.006 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -59.95 -42.05 93.22 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.63 1.572 . . . . 0.0 112.501 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 54' ' ' PHE . 28.2 m-85 -76.13 -29.9 57.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 123.444 0.698 . . . . 0.0 110.812 -178.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.05 0.94 . . . . 0.0 111.505 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.97 -43.44 58.12 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 109.098 174.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm . . . . . 0 C--N 1.356 0.884 0 C-N-CA 124.651 1.18 . . . . 0.0 112.751 176.597 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.6 p -112.22 177.3 4.69 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 174.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.45 -24.01 61.14 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.471 1.108 . . . . 0.0 111.626 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -77.67 -25.66 49.72 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.556 1.542 . . . . 0.0 109.937 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -81.72 -52.71 6.87 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.36 -17.07 52.18 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 126.862 2.065 . . . . 0.0 113.896 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -59.06 -59.47 5.42 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.663 1.585 . . . . 0.0 110.405 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -62.94 -43.53 98.55 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 126.862 2.065 . . . . 0.0 112.722 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.0 mt -70.23 -36.93 74.84 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.1 0.96 . . . . 0.0 112.317 -169.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -77.72 -29.01 51.03 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.35 0.66 . . . . 0.0 110.093 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.11 46.15 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.143 0.977 . . . . 0.0 112.011 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -93.43 -33.51 13.8 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.625 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 68.8 t80 -63.56 -31.54 72.73 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.928 1.691 . . . . 0.0 111.886 -174.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.34 -51.97 67.25 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.1 m -85.9 -49.6 7.75 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.36 96.02 5.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.911 1.284 . . . . 0.0 108.222 -168.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.63 -56.24 4.88 Favored 'General case' 0 CA--C 1.491 -1.294 0 C-N-CA 122.95 0.5 . . . . 0.0 110.239 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 1.667 ' HE2' ' CE1' ' A' ' 30' ' ' TYR . 89.0 m-85 -72.54 101.13 2.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 122.444 1.116 . . . . 0.0 110.39 -168.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.14 146.91 40.95 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.462 2.305 . . . . 0.0 108.425 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -97.83 155.67 16.94 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.13 -12.07 60.76 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.308 1.043 . . . . 0.0 110.824 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.74 -46.85 10.31 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -82.6 -27.47 31.48 Favored 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 121.818 -0.551 . . . . 0.0 111.422 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -51.2 -33.0 25.6 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 125.645 1.578 . . . . 0.0 112.94 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -85.39 -20.08 30.42 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.45 -170.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -88.33 -23.3 23.45 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.902 1.281 . . . . 0.0 108.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.58 -26.46 55.08 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -29.54 63.98 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.903 0.881 . . . . 0.0 111.026 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.72 -28.41 33.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.701 -0.624 . . . . 0.0 109.848 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.88 -68.29 0.73 Allowed 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 123.891 0.876 . . . . 0.0 112.421 -165.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -72.13 -28.86 63.54 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 126.301 1.84 . . . . 0.0 107.625 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.81 48.67 2.26 Favored Glycine 0 CA--C 1.486 -1.754 0 N-CA-C 106.643 -2.583 . . . . 0.0 106.643 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 mt -102.54 -169.78 1.71 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -122.39 175.82 6.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 168.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -71.88 -36.18 69.98 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.978 0.911 . . . . 0.0 109.83 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -68.98 -32.9 72.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 126.759 2.024 . . . . 0.0 111.727 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.64 -36.1 62.87 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.33 1.052 . . . . 0.0 110.977 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.9 mt -80.68 -28.02 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.892 1.277 . . . . 0.0 108.939 -174.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -55.6 -47.8 75.9 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.649 1.979 . . . . 0.0 110.369 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.31 -51.1 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 C-N-CA 127.639 2.376 . . . . 0.0 110.647 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -55.84 -49.21 73.93 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.258 1.823 . . . . 0.0 113.409 -170.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.606 ' HE1' ' CE2' ' A' ' 54' ' ' PHE . 19.9 m-85 -74.32 -30.81 62.21 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.72 0.808 . . . . 0.0 111.883 -171.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -72.79 -36.09 67.52 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 123.819 0.848 . . . . 0.0 111.365 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -69.12 -40.78 78.09 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.443 1.497 . . . . 0.0 110.933 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt . . . . . 0 CA--C 1.499 -0.993 0 C-N-CA 125.767 1.627 . . . . 0.0 113.135 -176.752 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.605 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 6.1 m-85 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p -114.62 179.19 4.02 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 170.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.51 -24.57 62.86 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.492 1.117 . . . . 0.0 111.248 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.81 -35.19 76.7 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 125.889 1.676 . . . . 0.0 110.998 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -85.81 -47.87 9.31 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 123.676 0.79 . . . . 0.0 108.997 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.5 -43.35 84.14 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.834 1.653 . . . . 0.0 112.437 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.49 -52.25 62.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.558 1.943 . . . . 0.0 112.806 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.55 -26.63 55.34 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.197 0.999 . . . . 0.0 111.646 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -72.63 -21.86 61.04 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.006 0.522 . . . . 0.0 111.592 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -75.57 -22.28 57.12 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 118.33 0.514 . . . . 0.0 110.103 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.98 37.6 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.971 0.908 . . . . 0.0 109.298 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -84.82 -4.42 59.07 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.411 1.084 . . . . 0.0 110.375 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 1.657 ' HE1' ' CE2' ' A' ' 25' ' ' PHE . 24.1 t80 -92.63 -35.84 13.31 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 174.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -74.36 -61.58 1.82 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.1 0.96 . . . . 0.0 110.174 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -88.3 -61.64 1.67 Allowed 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 123.652 0.781 . . . . 0.0 108.96 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -100.95 53.89 0.85 Allowed 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 125.052 1.341 . . . . 0.0 109.871 -164.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -69.72 -35.93 75.46 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 124.83 1.252 . . . . 0.0 112.087 -171.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -79.94 86.49 5.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 125.562 1.545 . . . . 0.0 109.29 -167.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -79.65 156.08 27.77 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.762 1.625 . . . . 0.0 110.646 -174.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -120.99 -179.7 4.1 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 104.627 -2.361 . . . . 0.0 104.627 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.95 -31.22 66.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -83.16 -40.98 19.02 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.908 1.283 . . . . 0.0 110.411 -167.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -21.49 19.43 Favored 'General case' 0 CA--C 1.482 -1.666 0 O-C-N 121.839 -0.538 . . . . 0.0 111.162 -172.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.73 -35.96 75.6 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 124.21 1.004 . . . . 0.0 109.736 166.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -93.2 -0.77 56.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.98 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.4 m -86.2 -25.41 25.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 167.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.5 -24.66 45.73 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 171.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.89 -25.4 58.91 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.76 -36.28 50.79 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.24 -68.8 0.58 Allowed 'General case' 0 CA--C 1.493 -1.23 0 C-N-CA 124.935 1.294 . . . . 0.0 113.389 -164.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -73.46 -25.54 60.53 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 126.064 1.745 . . . . 0.0 108.346 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.1 47.1 2.7 Favored Glycine 0 CA--C 1.488 -1.649 0 N-CA-C 107.013 -2.435 . . . . 0.0 107.013 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.74 -165.57 1.22 Allowed 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -123.78 178.71 5.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.48 -32.52 64.36 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.015 0.926 . . . . 0.0 109.538 173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -70.03 -31.53 69.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 127.381 2.273 . . . . 0.0 111.146 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -71.53 -47.59 54.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.807 1.243 . . . . 0.0 110.721 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.77 -30.61 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 124.095 0.958 . . . . 0.0 110.601 -163.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -63.65 -43.38 96.92 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.019 -1.051 . . . . 0.0 112.083 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.84 -46.0 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 C-N-CA 128.034 2.533 . . . . 0.0 110.488 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -59.77 -42.19 92.76 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.855 1.662 . . . . 0.0 112.105 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.676 ' HD2' ' CD1' ' A' ' 54' ' ' PHE . 7.0 m-85 -75.3 -28.71 59.81 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 123.543 0.737 . . . . 0.0 110.862 -177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -78.18 -22.11 49.15 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.632 0.773 . . . . 0.0 111.515 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.72 -43.23 56.1 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.68 1.192 . . . . 0.0 109.346 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.353 0.732 0 C-N-CA 126.254 1.822 . . . . 0.0 112.326 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -79.71 -1.44 11.46 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.125 2.55 . . . . 0.0 112.354 -169.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.3 mtp -104.53 -150.48 0.43 Allowed 'General case' 0 C--N 1.356 0.875 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.6 -98.89 0.08 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -94.85 112.83 24.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -161.66 -173.38 3.72 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -87.18 159.2 18.94 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HE ' HH11 ' A' ' 10' ' ' ARG . 90.2 mtm180 -85.23 154.79 60.31 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.77 96.1 0.91 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.533 2.822 . . . . 0.0 109.689 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.411 HH11 ' HE ' ' A' ' 8' ' ' ARG . 79.3 mtm-85 -115.26 -91.9 0.51 Allowed 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 104.263 -2.495 . . . . 0.0 104.263 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.2 m -104.54 -45.87 4.52 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 167.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.25 141.13 50.59 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 125.049 1.34 . . . . 0.0 110.902 -173.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.604 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 72.6 m-85 -99.27 165.82 11.5 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -118.91 -175.18 2.85 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.48 -27.21 64.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 -170.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -86.47 -21.51 26.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 123.985 0.914 . . . . 0.0 110.634 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -81.21 -48.46 12.04 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.06 -39.76 72.52 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.592 1.957 . . . . 0.0 112.741 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -55.94 -47.65 77.17 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.25 1.82 . . . . 0.0 111.882 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.452 HH12 ' HB2' ' A' ' 42' ' ' GLU . 71.8 ttt180 -61.27 -44.43 97.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.941 1.696 . . . . 0.0 111.551 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 mt -71.11 -29.14 64.88 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.396 0.678 . . . . 0.0 112.716 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmp? -74.83 -28.28 60.62 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 124.256 1.022 . . . . 0.0 110.565 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.18 -33.63 63.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.227 1.011 . . . . 0.0 110.15 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.34 -45.03 49.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.366 1.067 . . . . 0.0 109.663 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.87 -35.74 73.47 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 127.616 2.366 . . . . 0.0 111.738 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -62.07 -43.72 98.22 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.53 1.532 . . . . 0.0 111.58 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 m -80.33 -71.81 0.44 Allowed 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -112.98 114.93 27.6 Favored 'General case' 0 N--CA 1.427 -1.612 0 C-N-CA 126.001 1.72 . . . . 0.0 107.69 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -78.33 -21.74 49.11 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 1.621 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 94.7 m-85 -79.27 89.15 4.91 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 125.899 1.68 . . . . 0.0 108.535 -177.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 tp -82.9 142.2 31.64 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -107.92 163.83 12.79 Favored 'General case' 0 CA--C 1.489 -1.383 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.67 -18.2 61.58 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 123.301 0.64 . . . . 0.0 111.346 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -90.17 -41.11 11.81 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 124.306 1.042 . . . . 0.0 109.984 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -77.89 -34.18 51.64 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.345 0.658 . . . . 0.0 109.684 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -56.11 -32.72 64.45 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.011 1.724 . . . . 0.0 112.733 172.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -69.79 -27.21 64.71 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 125.555 1.542 . . . . 0.0 111.54 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.6 m -88.11 -28.6 21.19 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 109.849 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.69 -29.55 62.36 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.25 64.75 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 125.5 1.52 . . . . 0.0 110.686 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -75.96 -41.41 51.6 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' HB2' HH12 ' A' ' 20' ' ' ARG . 55.0 mm-40 -93.99 -39.01 10.87 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -161.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.92 -32.08 67.01 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.23 34.38 6.76 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -100.12 -158.57 0.68 Allowed 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.572 HD21 HE21 ' A' ' 49' ' ' GLN . 71.6 m-80 -114.56 179.81 3.85 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 165.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.43 -40.62 66.94 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 123.878 0.871 . . . . 0.0 109.922 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -64.34 -26.59 68.54 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 126.632 1.973 . . . . 0.0 113.433 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.572 HE21 HD21 ' A' ' 46' ' ' ASN . 19.8 mm-40 -73.82 -39.39 64.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.206 1.003 . . . . 0.0 110.655 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -88.02 -19.84 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 125.51 1.524 . . . . 0.0 109.182 -174.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.39 -49.12 72.83 Favored 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 125.177 1.391 . . . . 0.0 108.988 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.79 -44.57 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 128.153 2.581 . . . . 0.0 110.765 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -57.59 -47.06 83.16 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.561 1.545 . . . . 0.0 111.441 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -72.08 -33.0 67.57 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.074 0.95 . . . . 0.0 110.965 -175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.59 -30.92 64.8 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.15 0.98 . . . . 0.0 111.967 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -74.83 -42.38 58.11 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 125.364 1.466 . . . . 0.0 109.81 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -66.58 -42.26 87.27 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.894 1.678 . . . . 0.0 112.542 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -68.4 -22.76 64.61 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.812 1.245 . . . . 0.0 112.481 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.84 -3.03 59.02 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 123.781 0.832 . . . . 0.0 111.783 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.46 -30.58 37.48 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 123.508 0.723 . . . . 0.0 110.44 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.4 tt -69.37 166.38 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.093 0 C-N-CA 125.661 1.584 . . . . 0.0 110.863 -172.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -87.69 82.69 7.32 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -167.11 1.15 Allowed 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.4 -72.45 0.43 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.983 0.913 . . . . 0.0 109.939 -172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -81.55 166.83 19.91 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 68.26 -105.67 0.08 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.552 1.541 . . . . 0.0 109.414 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.706 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 173.637 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 118.233 -1.315 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.3 -17.76 11.42 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.858 2.372 . . . . 0.0 111.478 -169.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.8 mtm -104.15 173.61 6.23 Favored 'General case' 0 CA--C 1.499 -0.994 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.56 159.15 44.55 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 p -114.23 167.09 10.99 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -102.58 132.48 48.63 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.37 0.668 . . . . 0.0 110.166 -173.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.792 ' H ' ' HZ1' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -130.87 -151.59 0.47 Allowed 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 102.752 -3.055 . . . . 0.0 102.752 168.178 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -151.38 157.9 34.69 Favored Pre-proline 0 N--CA 1.441 -0.915 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.35 150.03 40.91 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.139 2.56 . . . . 0.0 108.392 156.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -92.01 163.64 13.91 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 121.983 0.897 . . . . 0.0 110.22 -171.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -97.49 3.39 50.76 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.897 1.679 . . . . 0.0 109.249 -173.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.27 25.07 2.0 Allowed 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.308 1.043 . . . . 0.0 110.197 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 69.4 m-85 -133.62 174.95 9.88 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.5 p -107.09 178.14 4.65 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 169.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.4 66.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 123.958 0.903 . . . . 0.0 111.291 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -73.99 -29.83 62.17 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.409 1.484 . . . . 0.0 111.225 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -79.49 -49.43 12.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.707 0.803 . . . . 0.0 109.208 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 78.5 mt -55.31 -39.98 70.57 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.627 1.971 . . . . 0.0 112.944 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -54.47 -49.5 69.96 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 126.906 2.082 . . . . 0.0 111.919 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.38 -42.68 96.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.341 1.456 . . . . 0.0 111.869 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.07 -27.86 67.71 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.502 1.121 . . . . 0.0 113.45 -174.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.512 ' HZ1' ' HB3' ' A' ' 18' ' ' LEU . 35.1 mttp -75.61 -29.72 59.31 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.852 1.261 . . . . 0.0 110.199 -177.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -27.78 38.32 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.191 0.997 . . . . 0.0 109.847 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -88.56 -14.66 37.11 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 124.414 1.086 . . . . 0.0 111.447 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.662 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 38.2 t80 -79.42 -36.76 38.5 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 173.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -64.76 -44.32 90.45 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.927 1.691 . . . . 0.0 110.639 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -76.61 -70.0 0.48 Allowed 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 124.217 1.007 . . . . 0.0 108.468 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.76 98.7 10.95 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 124.909 1.284 . . . . 0.0 108.326 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -83.03 -38.63 22.32 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -85.46 66.46 9.69 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 126.848 2.059 . . . . 0.0 106.676 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.92 121.2 24.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.85 2.06 . . . . 0.0 105.755 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -94.17 167.45 11.55 Favored 'General case' 0 CA--C 1.495 -1.147 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.95 -17.0 60.62 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 123.556 0.742 . . . . 0.0 111.416 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -86.77 -35.57 19.09 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.126 1.37 . . . . 0.0 108.833 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -80.04 -38.3 32.21 Favored 'General case' 0 CA--C 1.488 -1.436 0 C-N-CA 124.952 1.301 . . . . 0.0 109.485 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -61.5 -34.28 75.23 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.661 1.184 . . . . 0.0 111.911 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -87.35 -4.88 59.05 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -90.8 -21.68 21.39 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.93 -25.82 48.59 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 171.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -26.88 60.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.63 0.772 . . . . 0.0 110.832 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -74.55 -38.39 62.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 O-C-N 121.876 -0.515 . . . . 0.0 109.745 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.93 -45.81 7.78 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -164.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.92 -29.54 65.61 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.6 37.54 6.48 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 174.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 mt -104.24 -163.81 1.0 Allowed 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.44 -177.95 3.46 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 171.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.18 -39.69 65.41 Favored 'General case' 0 CA--C 1.496 -1.123 0 C-N-CA 124.019 0.927 . . . . 0.0 109.165 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -69.58 -27.79 65.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.282 2.233 . . . . 0.0 112.752 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -70.08 -46.09 65.63 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 124.058 0.943 . . . . 0.0 109.962 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.84 -19.48 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 C-N-CA 125.68 1.592 . . . . 0.0 109.157 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -64.26 -48.48 75.59 Favored 'General case' 0 CA--C 1.494 -1.185 0 C-N-CA 125.91 1.684 . . . . 0.0 110.167 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.06 -43.41 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 C-N-CA 128.385 2.674 . . . . 0.0 110.442 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -62.75 -43.57 98.45 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 124.723 1.209 . . . . 0.0 111.888 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -75.31 -25.68 58.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.291 0.636 . . . . 0.0 110.594 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -70.15 -27.59 64.67 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.095 0.958 . . . . 0.0 111.194 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.88 -47.3 53.78 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.356 1.062 . . . . 0.0 109.579 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -70.25 -30.93 68.11 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -79.94 -26.03 40.22 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 124.186 0.994 . . . . 0.0 110.024 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.4 -5.24 58.94 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.805 0.842 . . . . 0.0 111.344 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.792 ' HZ1' ' H ' ' A' ' 7' ' ' LYS . 69.3 mmtt -63.06 -56.93 12.72 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 166.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.1 145.7 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.267 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -72.33 -42.27 65.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 124.301 1.041 . . . . 0.0 109.7 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -86.13 162.78 18.22 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.98 82.6 0.57 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 174.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -91.27 116.39 28.79 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -119.66 179.81 4.12 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.618 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -178.093 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' H1 ' ' HZ2' ' A' ' 57' ' ' LYS . . . . . . . . 0 N--CA 1.482 1.738 0 CA-C-O 118.297 -1.279 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -78.63 -11.66 15.45 Favored 'Trans proline' 0 CA--C 1.508 -0.807 0 C-N-CA 123.255 2.637 . . . . 0.0 110.631 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -112.28 -167.04 1.13 Allowed 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.27 94.98 9.47 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -152.93 154.77 35.7 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -134.26 163.65 29.15 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -96.54 155.12 16.9 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.4 mmt-85 -117.71 150.26 46.6 Favored Pre-proline 0 N--CA 1.442 -0.84 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.01 109.78 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.847 2.365 . . . . 0.0 111.264 -159.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -121.76 -73.43 0.65 Allowed 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 102.158 -3.275 . . . . 0.0 102.158 170.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -108.25 -19.09 13.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 166.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.26 -147.16 0.26 Allowed 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 124.418 1.087 . . . . 0.0 111.016 -159.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -101.77 178.26 4.67 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 125.224 1.41 . . . . 0.0 109.404 -162.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 p -119.16 -171.19 2.06 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 163.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.68 -33.41 66.5 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 123.53 0.732 . . . . 0.0 110.625 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -77.45 -24.46 50.29 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.468 1.507 . . . . 0.0 111.761 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.15 -41.73 27.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 123.289 0.636 . . . . 0.0 109.528 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.84 -42.67 97.55 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.74 1.216 . . . . 0.0 113.469 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -71.27 -28.78 64.38 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.682 0.793 . . . . 0.0 112.316 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -72.48 -32.54 66.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.035 1.334 . . . . 0.0 110.445 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.62 -22.9 58.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.381 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -78.34 -23.25 47.06 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.082 0.856 . . . . 0.0 109.854 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.23 -22.33 41.89 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.128 0.971 . . . . 0.0 110.015 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.53 -37.59 22.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.382 1.073 . . . . 0.0 109.126 172.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.34 -30.71 68.8 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.684 1.594 . . . . 0.0 112.48 -168.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.77 -40.37 96.52 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 m -92.03 -47.88 7.04 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -118.86 111.05 17.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.82 -163.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.43 -74.2 0.36 Allowed 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 167.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.27 99.53 7.12 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.103 1.361 . . . . 0.0 108.762 -166.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -74.71 169.02 18.68 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.583 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.2 p -94.06 178.15 5.74 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.4 -29.61 63.9 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -82.76 -40.11 20.94 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 124.881 1.272 . . . . 0.0 111.314 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -68.11 -47.43 68.2 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -64.56 -39.61 94.07 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.745 1.218 . . . . 0.0 112.165 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.68 -8.32 59.14 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 122.863 0.465 . . . . 0.0 111.788 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 t -92.64 -18.84 22.52 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.23 -23.17 43.92 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.27 60.66 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.062 0.945 . . . . 0.0 110.882 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -82.1 -28.23 32.42 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 121.822 -0.549 . . . . 0.0 110.027 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -81.63 -69.66 0.6 Allowed 'General case' 0 CA--C 1.491 -1.298 0 C-N-CA 123.892 0.877 . . . . 0.0 112.234 -164.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.18 -26.02 58.73 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 126.299 1.84 . . . . 0.0 107.963 -177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.76 42.72 2.82 Favored Glycine 0 CA--C 1.487 -1.707 0 N-CA-C 107.283 -2.327 . . . . 0.0 107.283 171.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.9 -164.72 1.15 Allowed 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -115.11 -174.15 2.44 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 103.102 -2.925 . . . . 0.0 103.102 164.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.31 -41.17 57.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -64.61 -29.84 70.86 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 127.53 2.332 . . . . 0.0 113.264 -173.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -69.46 -35.75 75.92 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.232 1.013 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.91 -22.46 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 123.388 0.675 . . . . 0.0 109.487 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.96 -32.53 69.42 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.792 0.837 . . . . 0.0 110.699 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.37 -42.75 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 C-N-CA 126.799 2.04 . . . . 0.0 109.407 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -63.04 -30.67 71.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.927 1.691 . . . . 0.0 112.114 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.664 ' HE2' ' CE1' ' A' ' 54' ' ' PHE . 20.6 m-85 -80.36 -28.43 38.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.079 0.952 . . . . 0.0 110.228 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.24 -26.96 62.22 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 118.97 0.804 . . . . 0.0 110.677 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -75.78 -57.59 3.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 124.81 1.244 . . . . 0.0 110.121 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.518 ' HZ2' ' H1 ' ' A' ' 1' ' ' GLY . 0.4 OUTLIER -66.3 -41.24 90.04 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -172.598 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -77.26 -18.74 57.38 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 122.943 0.497 . . . . 0.0 111.878 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.4 -18.52 48.67 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.052 0.941 . . . . 0.0 111.655 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -77.86 -33.88 51.98 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.474 -0.766 . . . . 0.0 109.506 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -87.18 151.56 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -95.39 83.03 3.76 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -102.04 -87.95 0.39 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.81 -23.96 0.57 Allowed 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.2 m -69.31 -49.23 57.77 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.921 1.688 . . . . 0.0 108.541 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -84.98 -75.11 0.37 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.674 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -178.657 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.38 -12.92 18.8 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 123.747 2.965 . . . . 0.0 110.433 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -87.49 168.58 12.96 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.266 1.427 . . . . 0.0 110.102 -172.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.98 -95.48 0.21 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 m -126.29 -145.57 0.32 Allowed 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -85.81 130.63 34.5 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -116.25 -169.73 1.67 Allowed 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 121.611 0.72 . . . . 0.0 109.283 -166.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 158.6 58.6 Favored Pre-proline 0 N--CA 1.441 -0.877 0 C-N-CA 126.289 1.835 . . . . 0.0 107.868 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.83 154.91 34.4 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.732 2.288 . . . . 0.0 109.894 173.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 72.37 -177.36 0.19 Allowed 'General case' 0 C--N 1.356 0.871 0 C-N-CA 126.499 1.92 . . . . 0.0 112.451 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.4 m -100.48 77.69 1.95 Allowed 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.73 99.27 8.02 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.667 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 21.1 m-30 -91.9 166.4 12.74 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.5 p -103.01 -179.08 3.85 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.48 67.61 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.257 1.023 . . . . 0.0 110.97 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.27 -29.52 60.16 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.416 1.486 . . . . 0.0 111.19 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.37 -49.04 12.03 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 123.454 0.702 . . . . 0.0 109.277 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -51.65 -44.61 63.06 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.242 1.817 . . . . 0.0 112.835 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -53.84 -49.15 69.06 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.831 2.052 . . . . 0.0 112.72 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -39.87 95.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.402 1.881 . . . . 0.0 111.787 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.8 -29.53 62.22 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 124.63 1.172 . . . . 0.0 111.851 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -82.24 -21.89 36.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.976 1.31 . . . . 0.0 110.035 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.59 -34.56 35.13 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 109.075 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.95 -54.72 7.31 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.85 1.26 . . . . 0.0 110.259 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 22.5 t80 -73.9 -25.3 59.93 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.693 1.197 . . . . 0.0 111.873 -169.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -71.12 -48.17 53.76 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.851 0.86 . . . . 0.0 110.703 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.4 m -73.05 -69.8 0.4 Allowed 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.268 1.027 . . . . 0.0 108.52 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -100.55 112.72 25.14 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 105.804 -1.925 . . . . 0.0 105.804 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.41 20.13 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -68.95 97.56 0.86 Allowed 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.612 1.565 . . . . 0.0 110.735 -166.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 HD11 ' HE ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -94.62 124.88 38.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 112.858 -1.974 . . . . 0.0 106.372 -171.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.46 ' HG1' ' H ' ' A' ' 35' ' ' ARG . 61.4 p -101.33 178.41 4.65 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.93 -31.84 64.88 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.664 1.186 . . . . 0.0 108.552 173.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -76.92 -38.53 53.26 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 125.523 1.529 . . . . 0.0 110.364 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' H ' ' HG1' ' A' ' 32' ' ' THR . 24.5 mtp85 -72.65 -43.7 62.84 Favored 'General case' 0 CA--C 1.489 -1.367 0 C-N-CA 124.889 1.276 . . . . 0.0 109.446 175.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HE ' HD11 ' A' ' 31' ' ' LEU . 27.8 ttm180 -59.8 -34.0 72.46 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -88.1 -5.64 58.35 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 122.534 0.334 . . . . 0.0 110.826 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.1 m -89.69 -24.53 21.56 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.77 -29.94 56.3 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.24 64.26 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 123.666 0.786 . . . . 0.0 110.37 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -72.81 -40.92 65.44 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.372 0.669 . . . . 0.0 109.8 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -92.51 -45.33 8.18 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -162.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -72.27 -30.39 64.8 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.18 39.09 6.15 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 107.833 -2.107 . . . . 0.0 107.833 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -105.7 -169.01 1.52 Allowed 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -107.53 -179.3 3.87 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 170.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.47 -34.12 58.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 123.781 0.832 . . . . 0.0 109.277 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -70.31 -30.24 67.17 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.432 2.293 . . . . 0.0 112.894 -169.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.86 -31.52 27.93 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.326 0.65 . . . . 0.0 110.115 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 mt -84.51 -15.21 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -48.43 81.21 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.879 1.672 . . . . 0.0 108.763 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.31 -46.64 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.158 0 C-N-CA 128.266 2.626 . . . . 0.0 109.95 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.67 -40.03 90.59 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.527 1.131 . . . . 0.0 112.927 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -74.47 -31.95 62.4 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 124.03 0.932 . . . . 0.0 111.11 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -71.71 -25.74 62.2 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 111.379 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.7 -44.59 66.61 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.716 1.206 . . . . 0.0 110.091 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -67.51 -29.53 68.97 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 124.59 1.156 . . . . 0.0 112.842 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -83.37 -17.33 42.7 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 124.576 1.151 . . . . 0.0 110.585 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.29 -5.7 57.36 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.097 0.959 . . . . 0.0 111.777 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -70.63 -45.03 65.97 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 123.654 0.781 . . . . 0.0 110.61 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.0 tt -71.11 -24.05 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 125.331 1.452 . . . . 0.0 112.392 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.21 99.59 1.93 Allowed 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 123.581 0.752 . . . . 0.0 111.03 -171.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -98.81 -171.53 2.12 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.37 -62.52 1.65 Allowed 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 174.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.9 m -94.11 94.55 8.45 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 104.2 -2.519 . . . . 0.0 104.2 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -96.59 138.07 34.71 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.638 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.7 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.609 -0.597 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.6 -8.03 16.93 Favored 'Trans proline' 0 CA--C 1.51 -0.695 0 C-N-CA 123.808 3.006 . . . . 0.0 110.424 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.0 -178.47 4.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 125.708 1.603 . . . . 0.0 107.246 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.75 127.22 33.64 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 173.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -83.11 125.86 31.96 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -172.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -98.18 150.74 21.16 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.01 135.87 43.7 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 172.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.59 137.41 23.33 Favored Pre-proline 0 N--CA 1.44 -0.953 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.38 78.27 3.77 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.519 2.813 . . . . 0.0 108.736 163.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -118.01 179.83 3.97 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -76.43 -48.19 20.55 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.345 1.858 . . . . 0.0 106.606 165.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.73 -125.36 0.2 Allowed 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.016 -162.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.624 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 52.3 m-85 -66.33 162.86 19.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 127.914 2.486 . . . . 0.0 112.055 -172.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.7 p -113.2 -176.88 3.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 169.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.37 61.9 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.369 0.668 . . . . 0.0 110.988 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.01 -27.05 61.55 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.955 1.702 . . . . 0.0 111.509 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -87.77 -45.64 10.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 123.653 0.781 . . . . 0.0 109.369 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.84 -40.58 93.35 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.937 1.695 . . . . 0.0 113.287 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -68.08 -29.24 68.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 124.039 0.935 . . . . 0.0 111.908 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -73.87 -35.01 64.69 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.548 1.539 . . . . 0.0 110.622 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.6 mt -74.73 -23.01 58.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 124.046 0.938 . . . . 0.0 111.77 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -82.15 -21.69 36.46 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.416 1.086 . . . . 0.0 109.536 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -30.59 44.69 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.144 0.978 . . . . 0.0 109.752 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -39.35 63.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 124.149 0.979 . . . . 0.0 109.263 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.653 ' HE1' ' CE2' ' A' ' 25' ' ' PHE . 28.5 t80 -69.11 -29.9 68.06 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 125.716 1.606 . . . . 0.0 110.55 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.59 -46.41 69.44 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.448 1.099 . . . . 0.0 110.817 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.9 m -76.88 -69.72 0.5 Allowed 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 124.068 0.947 . . . . 0.0 108.738 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.47 106.36 18.63 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.18 -59.08 2.9 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 123.895 0.878 . . . . 0.0 110.237 -170.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 1.653 ' HE2' ' CE1' ' A' ' 30' ' ' TYR . 90.2 m-85 -95.45 71.05 3.15 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.01 138.28 58.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 128.275 2.63 . . . . 0.0 108.726 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.1 p -92.08 167.53 12.01 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.486 1.115 . . . . 0.0 108.71 -166.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -72.57 -21.65 61.11 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 125.48 1.512 . . . . 0.0 110.052 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.04 -44.26 14.3 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.914 1.286 . . . . 0.0 109.941 -173.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.6 mtp-105 -78.09 -24.11 47.69 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 123.902 0.881 . . . . 0.0 109.695 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -57.79 -20.87 38.58 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -79.19 -16.66 56.24 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 121.423 -0.798 . . . . 0.0 111.188 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 m -87.65 -27.87 22.2 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.79 -21.09 57.71 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 123.529 0.731 . . . . 0.0 109.439 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.21 -26.91 62.22 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.203 1.001 . . . . 0.0 110.764 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -86.53 -22.44 26.36 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.712 -0.618 . . . . 0.0 109.624 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.09 -68.43 0.58 Allowed 'General case' 0 CA--C 1.492 -1.254 0 C-N-CA 124.607 1.163 . . . . 0.0 112.438 -166.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -77.31 -27.21 52.82 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.178 1.391 . . . . 0.0 107.601 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.46 37.38 4.04 Favored Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.43 -158.16 0.65 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -110.64 -167.82 1.23 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -74.58 -45.95 41.9 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 m -56.03 -38.75 70.96 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 129.091 2.956 . . . . 0.0 115.231 -168.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -70.64 -41.51 72.06 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 124.392 1.077 . . . . 0.0 110.492 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 mt -85.6 -14.31 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 126.117 1.767 . . . . 0.0 108.398 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -70.91 -42.63 69.67 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 125.182 1.393 . . . . 0.0 107.963 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.93 -46.61 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 C-N-CA 127.182 2.193 . . . . 0.0 109.538 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -58.02 -46.16 85.74 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.146 1.378 . . . . 0.0 112.377 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -79.15 -24.87 43.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 123.027 0.531 . . . . 0.0 111.148 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.03 -24.66 63.31 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.622 1.101 . . . . 0.0 111.278 176.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -74.83 -56.03 5.2 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 124.077 0.951 . . . . 0.0 109.066 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -44.21 94.32 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.998 1.319 . . . . 0.0 113.996 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -71.12 -28.26 64.17 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.233 1.013 . . . . 0.0 111.701 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.48 -34.19 58.67 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.819 0.848 . . . . 0.0 110.941 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.24 -52.3 35.61 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.379 1.071 . . . . 0.0 110.604 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.1 tt -71.92 146.32 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.286 0 CA-C-O 121.832 0.825 . . . . 0.0 111.599 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -110.65 -76.06 0.61 Allowed 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -119.37 -84.73 0.66 Allowed 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.91 -54.95 2.85 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.512 1.125 . . . . 0.0 108.148 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 t -78.67 150.57 32.56 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.167 0.987 . . . . 0.0 109.017 -175.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -130.65 172.3 12.1 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.65 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.664 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -78.25 -7.93 16.21 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.222 2.615 . . . . 0.0 110.637 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.0 ptm -117.45 18.54 14.3 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.794 1.238 . . . . 0.0 108.456 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.03 -146.77 0.2 Allowed 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -92.01 -177.56 4.74 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.98 144.27 31.95 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -112.54 -170.29 1.64 Allowed 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -171.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -92.31 146.52 32.73 Favored Pre-proline 0 N--CA 1.441 -0.895 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.69 171.74 16.2 Favored 'Trans proline' 0 CA--C 1.506 -0.89 0 C-N-CA 123.137 2.558 . . . . 0.0 110.057 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -95.53 -79.96 0.43 Allowed 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 t -93.26 -22.08 19.22 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 124.925 1.29 . . . . 0.0 108.911 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.09 -168.7 2.26 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 122.02 0.914 . . . . 0.0 111.611 -161.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -95.94 161.99 13.76 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 124.815 1.246 . . . . 0.0 109.618 -166.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.0 p -115.16 -171.87 2.03 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 104.318 -2.475 . . . . 0.0 104.318 167.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.43 63.24 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 123.929 0.892 . . . . 0.0 110.905 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -79.0 -23.56 44.31 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 125.595 1.558 . . . . 0.0 111.46 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.62 -47.49 11.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.3 -25.73 62.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.063 1.745 . . . . 0.0 113.385 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -57.54 -52.57 64.87 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.502 1.521 . . . . 0.0 111.477 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -62.14 -47.29 85.22 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.932 1.693 . . . . 0.0 111.33 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -69.73 -33.08 71.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 124.207 1.003 . . . . 0.0 113.615 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.89 -24.1 28.64 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 124.308 1.043 . . . . 0.0 109.716 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.58 67.58 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 123.926 0.891 . . . . 0.0 109.967 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -90.55 -12.25 37.66 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 61.6 t80 -71.75 -33.29 68.54 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.013 0.824 . . . . 0.0 109.114 175.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.3 -42.0 90.3 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.865 1.666 . . . . 0.0 111.516 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.9 m -81.39 -72.18 0.44 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -101.03 131.25 47.01 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 125.635 1.574 . . . . 0.0 109.126 -167.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -95.58 -60.76 1.59 Allowed 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 167.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 1.636 ' HE2' ' CE1' ' A' ' 30' ' ' TYR . 70.5 m-85 -79.55 100.36 7.73 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.844 0.857 . . . . 0.0 109.787 -165.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.46 161.34 26.14 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.222 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.4 p -101.69 176.8 5.1 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.35 -25.89 60.79 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -86.77 -35.33 19.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.701 1.201 . . . . 0.0 110.984 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -66.81 -47.5 71.85 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 124.573 1.149 . . . . 0.0 108.544 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -58.52 -36.07 73.27 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.023 1.729 . . . . 0.0 112.952 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.54 -27.31 68.36 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 126.072 1.749 . . . . 0.0 112.132 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -83.61 -34.39 25.13 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.25 -26.56 65.74 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 124.554 1.141 . . . . 0.0 109.698 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.92 63.68 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.717 1.607 . . . . 0.0 111.242 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -76.32 -30.47 57.7 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 121.6 -0.688 . . . . 0.0 110.226 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -68.27 -71.13 0.22 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 mt -77.12 -27.62 54.07 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 125.532 1.533 . . . . 0.0 108.617 -172.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.52 41.25 2.22 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -98.19 -169.33 1.79 Allowed 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -108.41 178.0 4.63 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -73.73 -36.97 65.25 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -65.66 -34.61 78.62 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.943 2.097 . . . . 0.0 111.706 -174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -66.79 -44.95 79.92 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.87 1.268 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.1 mt -86.22 -16.3 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 C-N-CA 124.54 1.136 . . . . 0.0 109.573 -171.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -67.66 -51.96 43.7 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 124.324 1.05 . . . . 0.0 108.976 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.61 -44.9 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.245 0 C-N-CA 128.088 2.555 . . . . 0.0 110.317 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -61.56 -43.99 97.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.177 1.391 . . . . 0.0 112.071 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.605 ' HD1' ' CD2' ' A' ' 54' ' ' PHE . 4.0 m-85 -70.89 -34.56 71.69 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.642 0.655 . . . . 0.0 110.398 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.42 -24.36 63.82 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.039 0.935 . . . . 0.0 112.187 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.05 -44.92 52.52 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.937 1.295 . . . . 0.0 109.789 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -65.8 -36.07 82.47 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.806 1.242 . . . . 0.0 112.379 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -79.03 -20.5 48.8 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.115 1.366 . . . . 0.0 111.311 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.88 -28.49 44.13 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.264 1.026 . . . . 0.0 110.777 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -70.64 -32.72 70.13 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.514 1.125 . . . . 0.0 110.506 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.1 mt -80.75 134.06 28.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -38.1 21.73 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 123.992 0.917 . . . . 0.0 110.094 -173.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -98.21 -143.82 0.31 Allowed 'General case' 0 C--N 1.356 0.885 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.83 -50.43 3.54 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 172.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.0 m -88.88 165.42 14.64 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 76.99 -155.56 0.03 OUTLIER 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.186 1.794 . . . . 0.0 109.516 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.668 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -178.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.86 -5.95 14.89 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.727 2.951 . . . . 0.0 110.798 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 35.9 mmt -88.5 106.68 18.44 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.01 -110.59 0.14 Allowed 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 103.424 -2.806 . . . . 0.0 103.424 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -85.1 106.33 16.48 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.18 -153.98 0.6 Allowed 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 -176.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -104.7 14.68 29.32 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -120.14 135.76 24.61 Favored Pre-proline 0 N--CA 1.436 -1.132 0 N-CA-C 103.509 -2.774 . . . . 0.0 103.509 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.493 ' HG2' HE22 ' A' ' 49' ' ' GLN . 87.9 Cg_endo -87.23 49.96 2.0 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.056 2.504 . . . . 0.0 110.459 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 62.22 -108.68 0.3 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 126.315 1.846 . . . . 0.0 111.281 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -123.68 -32.81 3.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 173.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.4 142.56 58.15 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.213 1.405 . . . . 0.0 112.911 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 22.2 m-30 -107.95 174.86 5.69 Favored 'General case' 0 CA--C 1.5 -0.962 0 C-N-CA 124.925 1.29 . . . . 0.0 108.504 -174.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.6 p -104.11 -179.19 3.88 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.27 68.81 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.484 1.113 . . . . 0.0 111.337 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.31 -29.97 60.21 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.45 1.5 . . . . 0.0 110.97 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -78.23 -52.1 9.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.497 1.119 . . . . 0.0 109.487 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -50.48 -47.27 57.22 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.623 1.969 . . . . 0.0 112.916 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -44.68 -59.54 2.44 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.79 2.436 . . . . 0.0 113.439 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.557 1.543 . . . . 0.0 112.3 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.02 -30.81 71.41 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.397 1.079 . . . . 0.0 113.029 -175.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -74.91 -31.14 61.48 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.322 1.049 . . . . 0.0 110.323 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.13 32.24 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.123 0.969 . . . . 0.0 110.399 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -83.1 -36.87 24.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.192 0.997 . . . . 0.0 110.694 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.654 ' HE2' ' CE1' ' A' ' 25' ' ' PHE . 44.0 t80 -76.97 -18.87 57.94 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.106 0.962 . . . . 0.0 110.653 -177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -66.37 -41.29 89.68 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 109.921 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 m -76.68 -66.26 0.83 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 124.678 1.191 . . . . 0.0 108.459 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.54 91.22 8.72 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.987 1.715 . . . . 0.0 108.077 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -82.43 -48.15 11.43 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 124.594 1.158 . . . . 0.0 108.303 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -86.12 71.68 10.52 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.918 1.687 . . . . 0.0 106.673 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.79 135.44 34.11 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 128.015 2.526 . . . . 0.0 107.614 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.7 p -99.94 172.09 7.44 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 124.334 1.054 . . . . 0.0 108.639 -167.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -20.13 60.2 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.513 1.125 . . . . 0.0 111.216 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -83.5 -36.29 24.21 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.347 1.459 . . . . 0.0 108.777 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -70.8 -47.1 61.29 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.5 1.12 . . . . 0.0 109.066 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -57.31 -35.7 70.16 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.425 1.49 . . . . 0.0 113.681 -174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -85.57 -6.98 59.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 123.313 0.645 . . . . 0.0 110.951 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -97.87 -18.73 18.54 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.44 -23.33 43.21 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -26.89 61.38 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.496 1.118 . . . . 0.0 110.332 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -81.39 -26.57 35.34 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.715 -0.615 . . . . 0.0 110.048 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -81.51 -66.66 0.86 Allowed 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -163.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.81 -27.8 60.45 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 124.904 1.282 . . . . 0.0 108.027 178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.09 42.07 2.89 Favored Glycine 0 CA--C 1.49 -1.501 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.9 mt -101.32 -162.11 0.91 Allowed 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -113.36 -179.05 3.53 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 170.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.36 -40.68 64.19 Favored 'General case' 0 CA--C 1.494 -1.189 0 C-N-CA 123.77 0.828 . . . . 0.0 108.79 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -66.7 -34.57 78.15 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 127.21 2.204 . . . . 0.0 112.733 -166.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.493 HE22 ' HG2' ' A' ' 9' ' ' PRO . 35.4 mt-30 -70.51 -38.71 74.31 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 123.906 0.882 . . . . 0.0 111.22 -177.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt -86.59 -19.84 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 123.949 0.899 . . . . 0.0 109.253 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -66.0 -42.43 89.74 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 124.478 1.111 . . . . 0.0 109.757 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.61 -47.8 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 C-N-CA 127.709 2.403 . . . . 0.0 109.891 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -61.62 -38.55 88.04 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.607 1.563 . . . . 0.0 112.698 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -73.58 -35.76 65.49 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.354 1.062 . . . . 0.0 109.869 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -78.93 -15.97 57.61 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.91 1.284 . . . . 0.0 112.319 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.65 -44.29 57.19 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.383 1.073 . . . . 0.0 108.172 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -69.0 -25.2 64.39 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.674 1.19 . . . . 0.0 112.568 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -70.79 -30.25 66.67 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 123.84 0.856 . . . . 0.0 110.747 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.41 -30.76 47.88 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.344 1.058 . . . . 0.0 110.216 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -91.7 30.45 1.35 Allowed 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.646 1.178 . . . . 0.0 111.21 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.7 mt -88.57 -76.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 104.857 -2.275 . . . . 0.0 104.857 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -160.86 -49.52 0.05 OUTLIER 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 101.712 -3.44 . . . . 0.0 101.712 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.88 -175.24 2.74 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 124.794 1.237 . . . . 0.0 107.85 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.04 -40.3 17.0 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 124.428 1.091 . . . . 0.0 110.684 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -84.14 170.77 13.47 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -80.73 -59.79 2.55 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.586 0 CA-C-O 118.001 -0.999 . . . . 0.0 108.53 176.434 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.17 0.78 9.73 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.691 2.928 . . . . 0.0 110.648 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.7 mtm -90.5 172.34 8.78 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.773 1.229 . . . . 0.0 108.408 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.72 169.85 10.94 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 123.71 0.804 . . . . 0.0 108.873 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -90.72 145.56 24.71 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -94.24 -166.16 1.44 Allowed 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -94.83 133.96 37.98 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -125.53 146.84 56.02 Favored Pre-proline 0 N--CA 1.44 -0.96 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.61 151.02 28.38 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.401 2.068 . . . . 0.0 110.432 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 71.53 149.2 0.09 Allowed 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 127.446 2.298 . . . . 0.0 114.322 174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -119.32 5.03 11.2 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.401 1.48 . . . . 0.0 107.685 -175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.89 21.36 3.64 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 124.276 1.03 . . . . 0.0 110.326 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.621 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 22.5 m-85 -127.01 175.47 8.07 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 179.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.3 p -108.36 179.59 4.16 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 168.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.49 71.5 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.133 0.973 . . . . 0.0 111.401 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -82.18 -24.3 35.05 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.774 1.229 . . . . 0.0 111.42 -174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.41 -43.56 27.1 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.57 -49.46 77.45 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 125.276 1.43 . . . . 0.0 110.802 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.02 -51.89 48.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 128.986 2.914 . . . . 0.0 113.366 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.36 -42.3 95.48 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 126.054 1.742 . . . . 0.0 111.307 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.04 -19.88 61.77 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -67.16 -30.59 70.61 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 119.15 0.886 . . . . 0.0 110.676 176.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -37.66 32.15 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 124.253 1.021 . . . . 0.0 109.351 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -69.68 -32.6 71.31 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.593 1.557 . . . . 0.0 110.95 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -58.76 -36.27 74.11 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 125.779 1.631 . . . . 0.0 111.995 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.42 -53.34 29.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.513 1.125 . . . . 0.0 111.551 -176.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.6 m -81.08 -66.91 0.83 Allowed 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 109.033 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.47 81.17 2.31 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 126.213 1.805 . . . . 0.0 107.741 -172.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -83.62 -50.15 8.49 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -88.74 78.82 7.6 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.679 1.592 . . . . 0.0 106.823 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.37 159.33 21.39 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 126.624 1.97 . . . . 0.0 110.768 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -108.19 170.43 8.01 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 173.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -73.8 -27.83 61.33 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.635 0.774 . . . . 0.0 109.371 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -79.38 -33.22 42.98 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.007 1.723 . . . . 0.0 110.729 -171.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -73.26 -50.39 22.54 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -60.0 -27.94 67.29 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -168.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -82.25 -11.39 58.69 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 123.945 0.898 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 t -102.19 -16.06 16.47 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -81.3 -27.22 35.14 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.12 -24.52 59.46 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.884 1.274 . . . . 0.0 109.996 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.98 -31.75 34.65 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.28 -69.7 0.51 Allowed 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 124.079 0.952 . . . . 0.0 113.221 -164.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.61 -31.75 67.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 125.488 1.515 . . . . 0.0 107.65 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.42 42.08 2.43 Favored Glycine 0 CA--C 1.489 -1.564 0 N-CA-C 106.869 -2.492 . . . . 0.0 106.869 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -97.09 -162.46 0.96 Allowed 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -116.45 -179.23 3.62 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 168.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.62 -36.86 62.94 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -60.47 -35.0 74.84 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 127.48 2.312 . . . . 0.0 112.656 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -67.14 -42.88 83.66 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.071 1.348 . . . . 0.0 111.121 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -82.7 -26.23 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.97 1.308 . . . . 0.0 109.587 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -63.56 -40.1 96.12 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.414 1.086 . . . . 0.0 110.63 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.3 mt -70.89 -49.28 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 126.087 1.755 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -58.59 -42.01 87.09 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.428 1.891 . . . . 0.0 112.7 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -73.21 -40.32 64.82 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 124.082 0.953 . . . . 0.0 111.099 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -73.13 -24.75 60.65 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.284 1.034 . . . . 0.0 112.074 -177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -75.6 -38.69 58.87 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.093 1.357 . . . . 0.0 109.064 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -70.16 -9.35 55.4 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 126.083 1.753 . . . . 0.0 115.213 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -77.58 -29.49 52.08 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 124.282 1.033 . . . . 0.0 109.831 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.6 -25.48 49.92 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.606 1.162 . . . . 0.0 110.708 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -73.37 -43.95 59.6 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 124.302 1.041 . . . . 0.0 111.029 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -54.79 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -176.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -102.24 96.36 6.92 Favored 'General case' 0 CA--C 1.496 -1.107 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -103.62 -160.73 0.79 Allowed 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.83 -75.47 0.22 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.6 m -96.13 107.56 19.89 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -84.45 -71.81 0.5 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.72 0 CA-C-O 117.917 -1.04 . . . . 0.0 108.257 177.774 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.43 -9.99 17.44 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.373 2.716 . . . . 0.0 110.554 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -109.05 17.2 21.93 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.552 1.541 . . . . 0.0 108.43 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.49 -117.77 0.22 Allowed 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 103.812 -2.662 . . . . 0.0 103.812 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -92.93 103.56 15.88 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 176.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -90.58 151.11 21.46 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 9.5 mtpm? -92.26 151.47 20.31 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -133.38 167.65 21.86 Favored Pre-proline 0 N--CA 1.438 -1.051 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -70.78 100.68 0.97 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.152 2.568 . . . . 0.0 108.724 162.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -83.65 149.69 26.36 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 124.383 1.073 . . . . 0.0 109.077 -172.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -95.21 80.59 3.58 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.93 70.42 3.36 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 106.803 -1.555 . . . . 0.0 106.803 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.654 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 15.3 m-30 -88.51 171.0 10.4 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 124.638 1.175 . . . . 0.0 108.1 -176.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -100.32 178.96 4.6 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.82 70.13 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.843 0.857 . . . . 0.0 111.275 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -76.79 -25.24 53.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.186 1.395 . . . . 0.0 111.263 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.84 -53.49 7.04 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.698 0.799 . . . . 0.0 109.255 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.95 -52.86 47.33 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 126.609 1.964 . . . . 0.0 113.405 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.26 -33.14 73.04 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.869 1.268 . . . . 0.0 113.741 -171.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -73.75 -39.29 64.33 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.077 1.351 . . . . 0.0 110.645 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.43 -22.97 56.92 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.109 0.964 . . . . 0.0 111.97 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -84.58 -28.11 26.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 125.038 1.335 . . . . 0.0 109.143 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.37 -16.59 54.15 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.2 1.0 . . . . 0.0 109.841 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -84.84 -46.14 11.63 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 171.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.53 -38.28 63.63 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.949 2.1 . . . . 0.0 113.469 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.91 -54.88 28.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.042 1.337 . . . . 0.0 114.0 -172.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.5 m -91.15 -54.39 3.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -105.44 104.07 13.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.807 1.243 . . . . 0.0 109.22 -166.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -93.71 -73.77 0.56 Allowed 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 1.631 ' HE1' ' CE2' ' A' ' 30' ' ' TYR . 81.1 m-85 -66.99 103.78 1.23 Allowed 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 124.744 1.218 . . . . 0.0 111.995 -162.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.27 157.21 37.5 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 125.782 1.633 . . . . 0.0 109.465 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.424 ' HG1' ' H ' ' A' ' 35' ' ' ARG . 69.3 p -97.62 175.66 6.12 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 168.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.98 -20.95 60.18 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.908 -0.495 . . . . 0.0 110.21 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -91.02 -35.83 14.42 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.934 1.294 . . . . 0.0 110.556 -173.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' H ' ' HG1' ' A' ' 32' ' ' THR . 14.3 ttp180 -81.29 -33.97 32.27 Favored 'General case' 0 CA--C 1.491 -1.309 0 C-N-CA 124.262 1.025 . . . . 0.0 109.448 -177.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.67 -35.71 76.91 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 125.959 1.704 . . . . 0.0 110.956 170.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.28 -23.36 61.18 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.97 1.308 . . . . 0.0 111.19 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -82.73 -27.73 30.93 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.88 -24.37 55.67 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.1 62.37 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.307 1.443 . . . . 0.0 110.478 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -84.17 -19.56 33.9 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.336 0.654 . . . . 0.0 109.814 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.55 -71.07 0.41 Allowed 'General case' 0 CA--C 1.494 -1.191 0 C-N-CA 124.51 1.124 . . . . 0.0 112.351 -169.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.79 -27.8 44.55 Favored 'General case' 0 CA--C 1.493 -1.218 0 C-N-CA 125.809 1.644 . . . . 0.0 108.087 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.71 38.45 3.43 Favored Glycine 0 CA--C 1.49 -1.52 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 mt -97.45 -166.92 1.45 Allowed 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -105.95 179.45 4.26 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.24 -40.98 62.03 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-O 121.953 0.882 . . . . 0.0 109.164 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 t -67.54 -39.75 85.0 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 127.164 2.185 . . . . 0.0 111.362 -167.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.63 -41.19 92.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 124.973 1.309 . . . . 0.0 111.481 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.9 mt -85.94 -22.62 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 124.029 0.932 . . . . 0.0 109.564 -171.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.53 -47.98 74.06 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.247 1.019 . . . . 0.0 109.55 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.66 -45.53 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.278 0 C-N-CA 128.015 2.526 . . . . 0.0 110.182 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.19 -45.43 91.09 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.459 1.504 . . . . 0.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.11 -39.06 82.9 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.987 0.915 . . . . 0.0 109.967 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.88 -23.19 62.25 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.627 1.171 . . . . 0.0 112.794 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -75.63 -39.32 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 109.666 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -73.31 -18.5 61.19 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 125.44 1.496 . . . . 0.0 112.15 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -87.98 -25.97 22.88 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 123.185 0.594 . . . . 0.0 109.638 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.2 29.67 0.83 Allowed 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.571 1.148 . . . . 0.0 111.946 -173.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -76.68 -46.36 25.99 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 170.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.4 tt -79.6 -171.44 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 C-N-CA 125.536 1.534 . . . . 0.0 108.956 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -67.08 -49.07 66.27 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 125.18 1.392 . . . . 0.0 111.149 -173.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -87.58 178.39 6.79 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.93 -78.49 0.55 Allowed 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 104.208 -2.515 . . . . 0.0 104.208 169.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 t -116.57 0.13 12.58 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -74.76 139.42 43.35 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 125.433 1.493 . . . . 0.0 109.16 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.573 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.573 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 CA-C-O 118.303 -1.276 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.22 -10.53 14.97 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 123.213 2.609 . . . . 0.0 110.65 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.9 mmt -114.18 21.26 14.91 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.57 -158.07 0.84 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 m -94.97 167.21 11.54 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -146.24 150.85 36.59 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.93 134.25 34.96 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -122.27 141.65 35.08 Favored Pre-proline 0 N--CA 1.442 -0.867 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.23 90.86 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.554 2.836 . . . . 0.0 110.1 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -130.95 -110.76 0.25 Allowed 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 103.541 -2.763 . . . . 0.0 103.541 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m -79.92 -43.6 21.86 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 166.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.56 139.87 55.59 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 124.541 1.137 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -85.6 164.04 17.97 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.4 p -111.66 -176.11 2.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.65 67.25 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.624 0.769 . . . . 0.0 110.592 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -25.5 54.05 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.894 1.678 . . . . 0.0 111.713 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -86.58 -47.89 8.82 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -175.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -51.65 -50.29 60.63 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.141 1.776 . . . . 0.0 113.341 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -62.67 -36.4 82.75 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.871 1.269 . . . . 0.0 113.787 -170.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -74.65 -36.76 62.85 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 123.995 0.918 . . . . 0.0 110.901 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -70.95 -21.29 62.35 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.136 0.974 . . . . 0.0 112.619 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -79.54 -19.51 49.36 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.383 1.073 . . . . 0.0 110.326 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.98 -30.52 35.05 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.868 0.867 . . . . 0.0 109.581 172.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.14 -33.06 63.41 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.07 0.948 . . . . 0.0 109.976 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.67 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 31.2 t80 -67.39 -44.09 79.75 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.775 1.63 . . . . 0.0 109.773 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.36 -45.46 94.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.164 1.786 . . . . 0.0 112.252 -171.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -77.46 -70.15 0.49 Allowed 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -110.62 130.63 55.52 Favored 'General case' 0 N--CA 1.427 -1.608 0 C-N-CA 124.643 1.177 . . . . 0.0 109.062 -169.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -107.08 1.13 24.02 Favored 'General case' 0 CA--C 1.5 -0.949 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 161.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.14 75.28 10.35 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 126.393 1.877 . . . . 0.0 106.589 167.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD23 ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -97.42 120.26 37.46 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -172.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -100.45 174.17 6.23 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.02 -22.95 59.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 123.488 0.715 . . . . 0.0 110.39 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -86.39 -33.89 20.36 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 124.898 1.279 . . . . 0.0 109.825 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HE ' HD23 ' A' ' 31' ' ' LEU . 64.2 mtp85 -71.86 -47.26 54.22 Favored 'General case' 0 CA--C 1.49 -1.337 0 C-N-CA 124.626 1.17 . . . . 0.0 108.826 173.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -56.56 -38.8 72.45 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.533 1.533 . . . . 0.0 113.31 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.81 -9.52 58.08 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 122.898 0.479 . . . . 0.0 110.924 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -94.1 -20.93 19.45 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.11 -30.39 49.46 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.58 -25.2 56.83 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 124.454 1.102 . . . . 0.0 110.976 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -78.38 -33.89 48.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -84.66 -62.85 1.45 Allowed 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -160.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -74.57 -27.34 60.45 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 124.716 1.206 . . . . 0.0 108.219 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.77 44.39 3.14 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.02 -167.9 1.77 Allowed 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -114.31 -178.51 3.39 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 163.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.44 -40.67 64.02 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.216 1.006 . . . . 0.0 109.725 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -65.36 -29.35 70.06 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 127.422 2.289 . . . . 0.0 112.781 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -72.57 -34.13 67.25 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.485 1.114 . . . . 0.0 110.975 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mt -85.34 -21.83 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 123.516 0.727 . . . . 0.0 109.633 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.9 -37.85 88.91 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 124.358 1.063 . . . . 0.0 110.52 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.02 -48.3 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.273 0 C-N-CA 126.614 1.966 . . . . 0.0 108.81 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -59.5 -39.75 84.81 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.76 2.024 . . . . 0.0 113.791 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -73.98 -36.93 64.59 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 123.77 0.828 . . . . 0.0 110.078 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -77.18 -15.63 59.43 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.367 1.067 . . . . 0.0 111.968 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -74.1 -39.12 63.61 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.836 1.255 . . . . 0.0 109.038 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -35.17 79.16 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.279 1.031 . . . . 0.0 111.187 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -73.86 -23.7 59.64 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 122.928 0.491 . . . . 0.0 111.187 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.92 -31.74 51.26 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 124.563 1.145 . . . . 0.0 110.622 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.18 -26.17 61.96 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 124.911 1.284 . . . . 0.0 110.586 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.3 mt -83.0 131.29 34.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -112.55 -15.7 13.0 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 123.515 0.726 . . . . 0.0 110.713 -164.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -75.64 171.12 14.87 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 121.504 0.668 . . . . 0.0 110.991 -174.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.07 -42.69 10.35 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 124.245 1.018 . . . . 0.0 110.793 -169.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.5 m -67.93 -58.34 4.7 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 124.488 1.115 . . . . 0.0 109.585 -171.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -87.93 139.0 30.97 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.608 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.309 -174.245 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -79.24 -3.02 12.79 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.897 3.065 . . . . 0.0 110.702 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.1 mtp -94.6 166.97 11.76 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 124.512 1.125 . . . . 0.0 108.898 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.36 -37.67 11.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.763 1.225 . . . . 0.0 107.781 173.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 m -81.62 167.79 18.85 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.486 1.114 . . . . 0.0 111.115 -172.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -88.5 158.89 18.19 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 123.934 0.894 . . . . 0.0 109.239 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.41 75.75 0.94 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 103.59 -2.745 . . . . 0.0 103.59 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -153.4 94.0 3.05 Favored Pre-proline 0 N--CA 1.437 -1.1 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -74.41 112.24 3.5 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.765 2.31 . . . . 0.0 108.99 166.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -90.35 -141.32 0.16 Allowed 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.5 t -79.57 -38.9 33.05 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 171.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.93 -143.11 0.39 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 171.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -108.61 177.46 4.77 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.0 p -90.53 178.57 6.07 Favored 'General case' 0 C--N 1.359 0.981 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -35.41 70.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.225 0.61 . . . . 0.0 110.999 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -83.84 -25.29 30.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 124.313 1.045 . . . . 0.0 111.62 -175.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.49 -46.19 64.22 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.991 0.916 . . . . 0.0 109.138 176.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.07 -48.12 79.35 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.72 1.608 . . . . 0.0 110.973 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.6 -48.57 69.14 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.735 2.414 . . . . 0.0 113.492 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -63.85 -40.74 97.3 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 111.165 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.03 -21.5 59.93 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 118.569 -0.729 . . . . 0.0 112.611 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -70.63 -30.0 66.52 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.23 0.923 . . . . 0.0 109.555 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.11 45.26 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.209 1.004 . . . . 0.0 109.194 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -87.6 2.87 49.69 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.16 0.984 . . . . 0.0 110.66 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.88 -45.44 14.22 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -68.27 -44.99 74.32 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 125.186 1.394 . . . . 0.0 110.416 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 m -80.02 -68.7 0.65 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.847 0.859 . . . . 0.0 109.04 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -101.76 70.38 1.25 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 125.241 1.416 . . . . 0.0 108.968 -168.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.463 HH22 ' HE ' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -64.41 -63.69 1.07 Allowed 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 126.157 1.783 . . . . 0.0 110.975 -174.176 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -92.06 76.94 5.39 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.33 149.02 7.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 127.275 2.23 . . . . 0.0 111.287 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.38 173.93 7.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.62 -19.88 60.74 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.645 0.778 . . . . 0.0 110.305 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -91.3 -43.0 10.06 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.988 0.915 . . . . 0.0 109.587 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -63.88 -46.1 86.44 Favored 'General case' 0 CA--C 1.493 -1.248 0 C-N-CA 124.759 1.223 . . . . 0.0 110.751 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttp-105 -63.36 -38.67 92.06 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 124.611 1.164 . . . . 0.0 111.064 -176.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.22 -28.06 69.78 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 126.464 1.905 . . . . 0.0 112.889 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -81.28 -33.28 32.76 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.102 0.561 . . . . 0.0 109.908 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.73 -27.12 63.73 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.63 63.14 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 126.218 1.807 . . . . 0.0 111.554 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.01 -30.41 58.49 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 121.45 -0.781 . . . . 0.0 110.045 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -79.65 -68.84 0.63 Allowed 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 122.932 0.493 . . . . 0.0 112.065 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.33 -27.27 68.91 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 125.913 1.685 . . . . 0.0 109.956 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.48 36.36 5.92 Favored Glycine 0 CA--C 1.489 -1.566 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 173.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.76 -167.7 1.6 Allowed 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -112.34 179.64 3.93 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.412 -2.44 . . . . 0.0 104.412 170.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.59 -37.25 68.2 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -67.8 -32.98 73.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.942 2.097 . . . . 0.0 112.123 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -67.95 -44.72 76.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.742 1.217 . . . . 0.0 110.722 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.0 mt -81.33 -23.8 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 124.691 1.197 . . . . 0.0 109.511 -174.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -51.18 67.19 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.516 1.126 . . . . 0.0 108.945 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -43.78 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 C-N-CA 127.794 2.437 . . . . 0.0 110.784 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.23 -37.96 84.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.724 1.609 . . . . 0.0 112.307 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.86 -27.58 60.32 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.367 0.667 . . . . 0.0 110.608 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -79.69 -25.04 41.33 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.178 0.991 . . . . 0.0 111.347 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.32 -36.58 63.71 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.282 1.433 . . . . 0.0 109.695 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -81.58 15.36 2.14 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.308 1.443 . . . . 0.0 112.419 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HE ' HH22 ' A' ' 29' ' ' ARG . 95.2 mtt180 -100.7 -47.82 4.71 Favored 'General case' 0 CA--C 1.498 -1.047 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 165.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.19 34.15 0.95 Allowed 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.133 1.773 . . . . 0.0 112.063 -169.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -56.95 -47.03 81.67 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 125.859 1.664 . . . . 0.0 112.854 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mt -83.19 133.74 28.44 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 174.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -83.88 -34.72 24.51 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 124.266 1.026 . . . . 0.0 109.555 -173.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.71 -165.03 1.21 Allowed 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 125.729 1.612 . . . . 0.0 107.222 178.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.2 -80.68 0.16 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -99.97 142.42 31.48 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -87.52 174.1 8.69 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 123.678 0.791 . . . . 0.0 109.04 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.604 0 CA-C-O 117.956 -1.021 . . . . 0.0 108.422 178.518 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.24 -14.68 18.45 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.442 2.761 . . . . 0.0 110.254 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.01 173.86 6.13 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.83 110.4 18.8 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -110.69 -4.88 15.16 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.277 1.031 . . . . 0.0 108.308 174.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -166.01 -161.67 0.5 Allowed 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 102.617 -3.105 . . . . 0.0 102.617 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -92.63 136.72 32.99 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -112.42 154.35 44.57 Favored Pre-proline 0 N--CA 1.441 -0.905 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.59 158.74 47.1 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.908 2.405 . . . . 0.0 108.93 169.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -91.23 164.19 13.98 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.677 0.751 . . . . 0.0 109.112 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.8 m -95.32 67.65 2.97 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -171.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.51 109.87 20.02 Favored 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -106.29 172.63 6.7 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -104.21 -178.43 3.66 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 175.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.15 67.76 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 124.13 0.972 . . . . 0.0 111.607 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.13 -29.57 48.89 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.955 1.302 . . . . 0.0 110.757 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.6 -44.4 24.12 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 123.907 0.883 . . . . 0.0 109.673 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.77 -45.95 85.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.598 1.559 . . . . 0.0 111.776 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -51.57 -51.18 57.57 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.63 1.972 . . . . 0.0 113.118 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -45.87 92.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 126.67 1.988 . . . . 0.0 111.407 -178.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 mt -75.43 -28.25 59.28 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -82.05 -22.28 36.48 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 123.991 0.916 . . . . 0.0 109.741 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.28 -36.92 63.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.072 0.949 . . . . 0.0 110.056 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -91.49 -9.17 45.45 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.663 ' HD1' ' CD2' ' A' ' 25' ' ' PHE . 13.4 t80 -90.68 22.83 3.33 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-O 122.761 1.267 . . . . 0.0 109.718 172.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -89.64 -56.94 3.05 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -90.82 -63.74 1.23 Allowed 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -87.12 114.92 24.15 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.847 1.259 . . . . 0.0 110.643 -165.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -95.71 -50.68 4.83 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 170.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.61 91.83 7.02 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 108.991 -167.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.04 156.62 21.02 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 114.809 -1.087 . . . . 0.0 108.107 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -106.79 -176.11 2.99 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.95 -17.56 61.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.798 0.839 . . . . 0.0 110.366 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -93.25 -48.51 6.41 Favored 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 124.503 1.121 . . . . 0.0 110.128 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -62.68 -44.32 96.56 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 125.481 1.512 . . . . 0.0 111.23 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -65.72 -39.7 91.46 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.111 0.964 . . . . 0.0 110.729 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.41 -23.18 66.26 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 126.325 1.85 . . . . 0.0 112.974 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -78.77 -40.26 33.69 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 123.119 0.568 . . . . 0.0 109.78 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -32.91 73.81 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 123.882 0.873 . . . . 0.0 108.881 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.35 62.48 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.748 2.019 . . . . 0.0 111.718 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -72.78 -33.85 66.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 121.636 -0.665 . . . . 0.0 109.494 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.28 -58.39 3.31 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.06 -31.0 64.12 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 125.333 1.453 . . . . 0.0 109.432 -173.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.24 34.34 5.91 Favored Glycine 0 CA--C 1.49 -1.48 0 N-CA-C 106.787 -2.525 . . . . 0.0 106.787 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -90.93 -176.76 4.75 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -108.82 179.79 4.08 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.04 -36.96 67.02 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 124.41 1.084 . . . . 0.0 109.178 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -72.6 -24.48 61.09 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 126.747 2.019 . . . . 0.0 111.956 -173.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -73.94 -47.48 37.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.3 mt -80.48 -18.23 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 C-N-CA 124.76 1.224 . . . . 0.0 109.537 -174.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -61.32 -54.56 42.34 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.589 1.556 . . . . 0.0 109.829 174.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.46 -45.27 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 C-N-CA 127.531 2.333 . . . . 0.0 110.249 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -58.83 -39.85 82.46 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.366 1.466 . . . . 0.0 112.808 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.649 ' HD1' ' CD2' ' A' ' 54' ' ' PHE . 2.0 m-85 -67.49 -38.88 85.01 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 118.889 0.768 . . . . 0.0 110.612 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -73.36 -22.39 60.29 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.375 1.07 . . . . 0.0 112.156 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -76.11 -41.62 49.64 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.561 1.545 . . . . 0.0 110.217 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -74.94 -22.8 58.37 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 125.002 1.321 . . . . 0.0 111.593 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 mtp-105 -87.74 -15.84 35.91 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 125.062 1.345 . . . . 0.0 109.931 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.46 -20.23 60.75 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.381 1.072 . . . . 0.0 111.104 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -70.68 -36.58 73.39 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.343 1.457 . . . . 0.0 108.976 172.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -92.6 -164.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 126.054 1.741 . . . . 0.0 107.072 177.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -94.99 87.16 4.84 Favored 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HZ3' ' H ' ' A' ' 67' ' ' ALA . 60.1 pttt -68.98 156.8 37.96 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 123.614 0.765 . . . . 0.0 111.341 172.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.81 -67.55 0.84 Allowed 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.5 t -82.06 144.11 31.05 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -82.92 166.59 18.77 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.233 1.013 . . . . 0.0 110.219 -173.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' H ' ' HZ3' ' A' ' 63' ' ' LYS . . . . . . . . 0 C--O 1.259 1.593 0 CA-C-O 117.944 -1.027 . . . . 0.0 108.653 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.41 -7.41 15.93 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.265 2.643 . . . . 0.0 110.591 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.8 mmt -113.24 23.78 12.95 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -145.09 178.05 8.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -124.36 -175.05 3.16 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -90.09 127.42 36.08 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -100.31 160.82 14.03 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -97.36 119.68 62.49 Favored Pre-proline 0 N--CA 1.441 -0.914 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -74.36 106.37 2.22 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.347 2.698 . . . . 0.0 109.35 169.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -97.85 -110.67 0.16 Allowed 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 m -117.84 58.56 0.8 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.96 109.85 22.19 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.644 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 96.3 m-85 -144.07 170.85 15.15 Favored 'General case' 0 CA--C 1.5 -0.979 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 p -110.43 -178.44 3.5 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 169.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.88 69.02 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 124.066 0.946 . . . . 0.0 111.326 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -75.97 -25.2 55.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 125.451 1.5 . . . . 0.0 111.699 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -86.34 -42.48 13.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 123.422 0.689 . . . . 0.0 109.475 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.26 -49.88 75.57 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.29 1.436 . . . . 0.0 112.49 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.7 -33.47 76.03 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 124.92 1.288 . . . . 0.0 113.346 -171.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -75.69 -33.26 60.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.151 0.98 . . . . 0.0 110.688 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.5 mt -73.59 -20.44 60.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 123.766 0.826 . . . . 0.0 111.891 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.9 -29.53 66.75 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.823 0.738 . . . . 0.0 110.181 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.28 -30.9 33.89 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.258 1.023 . . . . 0.0 109.957 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.11 -5.7 56.24 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.112 0.965 . . . . 0.0 110.425 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.58 -40.73 95.81 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.932 1.693 . . . . 0.0 110.911 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.8 m -74.91 -69.06 0.49 Allowed 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 124.348 1.059 . . . . 0.0 108.192 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -106.45 106.09 16.45 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.065 1.346 . . . . 0.0 107.925 -174.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -93.76 -45.47 7.66 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.9 m-85 -83.91 78.6 9.7 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tp -85.45 146.36 26.99 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 125.638 1.575 . . . . 0.0 108.402 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.474 ' HG1' ' H ' ' A' ' 34' ' ' GLN . 22.3 p -98.5 172.66 7.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.48 -22.05 60.26 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.418 0.687 . . . . 0.0 110.462 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.474 ' H ' ' HG1' ' A' ' 32' ' ' THR . 30.6 mm100 -93.04 -24.24 18.39 Favored 'General case' 0 C--N 1.359 0.978 0 C-N-CA 124.783 1.233 . . . . 0.0 111.542 -175.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -59.87 -36.42 76.87 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 126.178 1.791 . . . . 0.0 111.658 171.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -66.05 -27.57 68.19 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 125.648 1.579 . . . . 0.0 111.131 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.3 m -83.11 -29.71 28.5 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.9 -26.62 59.77 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.49 60.32 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.595 1.558 . . . . 0.0 111.142 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -84.29 -21.45 31.04 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 121.597 -0.69 . . . . 0.0 109.787 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -77.73 -68.39 0.63 Allowed 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.002 0.921 . . . . 0.0 112.78 -167.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -76.75 -27.05 55.21 Favored 'General case' 0 CA--C 1.494 -1.175 0 C-N-CA 125.659 1.584 . . . . 0.0 108.041 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.13 43.24 2.62 Favored Glycine 0 CA--C 1.488 -1.599 0 N-CA-C 107.357 -2.297 . . . . 0.0 107.357 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -97.96 -167.58 1.54 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.56 173.1 6.45 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.76 -33.41 62.3 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.406 0.682 . . . . 0.0 109.545 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -72.52 -23.65 61.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.541 1.936 . . . . 0.0 112.279 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -67.64 -47.87 68.32 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.534 1.134 . . . . 0.0 109.447 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mt -84.12 -16.52 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 126.223 1.809 . . . . 0.0 109.261 -168.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -66.06 -51.25 59.88 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 125.034 1.333 . . . . 0.0 109.718 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.91 -45.53 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 C-N-CA 127.818 2.447 . . . . 0.0 109.922 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -60.63 -40.55 92.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.411 1.485 . . . . 0.0 112.717 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.663 ' HE2' ' CE1' ' A' ' 54' ' ' PHE . 2.4 m-85 -73.57 -36.31 65.57 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 123.359 0.664 . . . . 0.0 110.516 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -72.92 -21.4 60.9 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 118.818 0.735 . . . . 0.0 111.774 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -72.14 -44.72 62.68 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.685 1.194 . . . . 0.0 109.849 172.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -76.96 -17.69 58.72 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 124.536 1.134 . . . . 0.0 112.957 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -92.75 -7.93 45.2 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 124.806 1.243 . . . . 0.0 109.865 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.58 4.13 50.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.422 1.089 . . . . 0.0 110.889 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.16 29.9 1.78 Allowed 'General case' 0 C--N 1.358 0.952 0 C-N-CA 124.214 1.005 . . . . 0.0 110.916 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.6 mt -104.66 -141.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.921 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -92.69 -31.92 14.92 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -91.11 159.8 15.91 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.15 -70.79 0.79 Allowed 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -84.6 129.33 34.86 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -173.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -96.42 -71.92 0.66 Allowed 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.672 0 C-N-CA 125.497 1.519 . . . . 0.0 110.926 -179.16 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 CA-C-O 118.22 -1.322 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.55 -9.1 17.3 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.256 2.637 . . . . 0.0 111.196 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.7 mtt -104.08 -161.46 0.83 Allowed 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.96 -69.2 0.65 Allowed 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p -102.99 116.61 32.87 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -111.24 147.18 35.58 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.08 153.17 51.76 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -96.15 148.93 35.26 Favored Pre-proline 0 N--CA 1.441 -0.88 0 N-CA-C 104.621 -2.363 . . . . 0.0 104.621 166.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.4 89.24 1.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.106 2.537 . . . . 0.0 110.061 176.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -111.87 -70.19 0.82 Allowed 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 103.428 -2.805 . . . . 0.0 103.428 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -96.09 -25.52 15.85 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 165.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.87 175.34 10.49 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-O 122.208 1.004 . . . . 0.0 110.586 -166.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -96.42 169.97 9.55 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.61 -168.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -105.23 -175.79 2.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.9 68.26 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 124.282 1.033 . . . . 0.0 111.3 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -79.39 -26.73 41.9 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.073 1.349 . . . . 0.0 111.127 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -79.7 -42.57 24.39 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 123.614 0.766 . . . . 0.0 109.617 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.46 -41.87 90.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.254 1.422 . . . . 0.0 111.792 174.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.17 -51.01 65.7 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.461 1.904 . . . . 0.0 112.502 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.83 -49.27 77.22 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 126.8 2.04 . . . . 0.0 111.619 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.17 -20.68 47.84 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -78.79 -20.12 50.55 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.77 0.714 . . . . 0.0 109.918 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -32.76 39.22 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 109.038 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -75.32 -36.96 61.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.631 1.172 . . . . 0.0 110.361 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 25' ' ' PHE . 50.0 t80 -67.2 -40.21 86.43 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.481 1.912 . . . . 0.0 109.864 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.49 -46.0 88.12 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 111.292 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -76.1 -70.26 0.45 Allowed 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -109.66 100.13 9.2 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.585 1.554 . . . . 0.0 107.862 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -76.51 -38.28 55.44 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 1.635 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 68.2 m-85 -82.9 73.96 9.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 126.682 1.993 . . . . 0.0 106.789 174.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.64 133.65 34.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 129.291 3.036 . . . . 0.0 104.23 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -89.36 150.95 22.33 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.4 -7.33 51.24 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.15 0.58 . . . . 0.0 111.746 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -93.69 -39.81 10.58 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 124.735 1.214 . . . . 0.0 109.888 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -87.73 -18.4 29.54 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 125.567 1.547 . . . . 0.0 108.572 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -57.27 -30.72 64.92 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 124.731 1.212 . . . . 0.0 112.251 161.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -76.47 -15.4 59.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 123.296 0.638 . . . . 0.0 110.713 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -81.4 -34.29 31.71 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.102 0.961 . . . . 0.0 108.646 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.46 61.74 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 125.774 1.629 . . . . 0.0 110.91 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.8 -26.96 49.98 Favored 'General case' 0 C--N 1.361 1.095 0 O-C-N 121.791 -0.568 . . . . 0.0 110.409 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -77.16 -63.89 1.26 Allowed 'General case' 0 CA--C 1.492 -1.25 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -172.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.44 -29.08 59.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 125.581 1.552 . . . . 0.0 108.914 -172.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.17 34.16 5.99 Favored Glycine 0 CA--C 1.488 -1.61 0 N-CA-C 106.466 -2.653 . . . . 0.0 106.466 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -89.94 -173.77 4.0 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -111.24 -173.51 2.26 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 174.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.93 -45.03 52.97 Favored 'General case' 0 CA--C 1.494 -1.192 0 C-N-CA 123.958 0.903 . . . . 0.0 108.705 172.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -69.51 -30.38 68.22 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 126.747 2.019 . . . . 0.0 112.225 -165.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -68.32 -42.48 79.3 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.821 1.248 . . . . 0.0 110.436 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.6 mt -80.86 -28.82 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 C-N-CA 125.059 1.344 . . . . 0.0 109.775 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -62.65 -44.72 95.56 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.715 1.206 . . . . 0.0 111.309 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.21 -47.0 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 C-N-CA 126.423 1.889 . . . . 0.0 109.488 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -60.16 -36.15 76.9 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 125.724 1.609 . . . . 0.0 112.813 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.86 -43.39 75.49 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 119.494 1.043 . . . . 0.0 110.283 -177.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.05 -24.11 60.66 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.922 0.889 . . . . 0.0 111.98 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.12 -43.15 68.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.868 1.267 . . . . 0.0 110.071 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.37 -2.63 50.02 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.887 1.275 . . . . 0.0 112.826 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -83.44 -18.33 39.02 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 124.119 0.968 . . . . 0.0 109.462 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.94 -35.21 24.18 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -86.34 32.72 0.63 Allowed 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.16 1.384 . . . . 0.0 112.574 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.0 mt -87.88 -80.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.903 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -88.43 -44.23 10.89 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 124.663 1.185 . . . . 0.0 108.481 -174.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.02 -170.13 1.59 Allowed 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -171.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.39 -82.31 0.36 Allowed 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -115.74 -41.84 3.18 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.209 -2.145 . . . . 0.0 105.209 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -138.66 166.21 24.95 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 105.734 -1.951 . . . . 0.0 105.734 174.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.675 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.529 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.15 -9.1 16.57 Favored 'Trans proline' 0 CA--C 1.51 -0.675 0 C-N-CA 123.613 2.876 . . . . 0.0 110.341 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.1 ptp -110.41 -167.85 1.24 Allowed 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.04 -29.05 43.33 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 124.366 1.066 . . . . 0.0 111.056 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 t -76.77 133.26 39.48 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 123.996 0.918 . . . . 0.0 108.814 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -100.78 147.82 25.62 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -112.03 129.55 56.17 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -158.53 136.45 7.38 Favored Pre-proline 0 N--CA 1.436 -1.161 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.53 116.06 4.54 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.162 2.574 . . . . 0.0 108.843 165.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -86.73 176.29 7.82 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-O 121.476 0.655 . . . . 0.0 109.604 -170.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.4 t -78.29 -34.84 48.58 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.04 -138.05 0.32 Allowed 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.657 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 45.7 m-85 -132.86 166.98 21.04 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -177.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -111.72 -174.07 2.38 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 171.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.74 68.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 123.775 0.83 . . . . 0.0 110.71 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -77.18 -27.43 53.63 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.526 1.53 . . . . 0.0 111.605 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.9 -42.83 17.25 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.64 -50.13 72.96 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.403 1.481 . . . . 0.0 111.119 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -46.24 -55.3 7.37 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 128.027 2.531 . . . . 0.0 113.554 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -48.95 70.21 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 127.714 2.406 . . . . 0.0 112.011 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.2 mt -76.34 -20.94 56.74 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.033 0.933 . . . . 0.0 113.311 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -84.3 -22.18 30.76 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 124.836 1.254 . . . . 0.0 109.658 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.68 63.48 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.86 -24.65 44.2 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.611 0.764 . . . . 0.0 111.721 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.615 ' HE2' ' CE1' ' A' ' 25' ' ' PHE . 54.6 t80 -67.67 -35.95 79.81 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.96 1.255 . . . . 0.0 109.718 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -71.91 -50.76 26.38 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.615 1.166 . . . . 0.0 111.094 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -81.37 -67.21 0.8 Allowed 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 123.098 0.559 . . . . 0.0 109.657 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -113.83 79.7 1.28 Allowed 'General case' 0 N--CA 1.432 -1.341 0 C-N-CA 125.729 1.611 . . . . 0.0 107.982 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -50.02 71.19 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.148 1.379 . . . . 0.0 109.562 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -79.58 92.89 5.37 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 125.76 1.624 . . . . 0.0 108.504 -169.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 mt -78.7 154.35 30.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.448 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.7 p -104.5 174.61 5.8 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 169.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.76 -23.0 59.67 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 118.186 0.448 . . . . 0.0 109.806 173.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' HA ' HE21 ' A' ' 37' ' ' GLN . 6.7 tm0? -77.92 -45.45 24.0 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.34 1.456 . . . . 0.0 109.524 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.72 -47.37 81.38 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.84 1.256 . . . . 0.0 109.693 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.09 -34.11 75.69 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 125.339 1.456 . . . . 0.0 113.615 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 34' ' ' GLN . 18.4 pt20 -87.54 -4.87 58.97 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 122.332 -0.23 . . . . 0.0 110.72 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -85.57 -29.76 23.88 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -74.71 -24.48 58.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.284 1.033 . . . . 0.0 108.477 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.15 61.22 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.472 1.109 . . . . 0.0 110.93 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -76.26 -38.26 56.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.79 -69.2 0.38 Allowed 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.68 -29.0 62.05 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 125.362 1.465 . . . . 0.0 108.625 -173.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.95 33.01 4.18 Favored Glycine 0 CA--C 1.489 -1.572 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.97 -162.14 0.91 Allowed 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.32 -169.86 1.88 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -74.22 -44.45 53.13 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 169.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -59.49 -36.95 77.02 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 127.776 2.431 . . . . 0.0 113.746 -169.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -66.67 -39.03 87.99 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.184 1.394 . . . . 0.0 111.097 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mt -88.19 -19.72 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 C-N-CA 125.345 1.458 . . . . 0.0 109.86 -171.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.79 -45.63 81.69 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 120.972 -1.08 . . . . 0.0 109.209 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.85 -46.55 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 C-N-CA 127.071 2.148 . . . . 0.0 109.734 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -62.27 -41.5 98.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.387 1.475 . . . . 0.0 112.899 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.3 -25.96 59.9 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.632 0.651 . . . . 0.0 110.905 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.76 -28.52 44.83 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 111.299 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -72.0 -39.96 68.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.445 1.498 . . . . 0.0 110.591 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -74.3 -3.89 32.87 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 125.889 1.676 . . . . 0.0 114.016 -175.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -77.22 -37.04 54.15 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 124.638 1.175 . . . . 0.0 109.285 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.08 -94.83 0.07 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -109.68 -99.46 0.39 Allowed 'General case' 0 C--N 1.357 0.908 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt -128.87 -144.61 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 N-CA-C 100.836 -3.765 . . . . 0.0 100.836 173.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.1 -2.37 56.63 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.874 1.27 . . . . 0.0 110.089 174.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' HB2' ' HZ3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -75.59 149.7 38.21 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.769 1.228 . . . . 0.0 109.833 177.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.29 71.97 0.53 Allowed 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 103.905 -2.628 . . . . 0.0 103.905 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.2 p -85.29 152.29 23.4 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 124.038 0.935 . . . . 0.0 109.615 -173.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -113.27 173.1 6.56 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.604 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.648 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.93 -10.05 18.11 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 123.485 2.79 . . . . 0.0 110.383 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -112.16 -173.82 2.33 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.31 -94.69 0.11 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 105.642 -1.985 . . . . 0.0 105.642 171.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -108.99 -166.45 1.11 Allowed 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 171.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -81.72 140.21 34.42 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -96.02 163.64 13.04 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -112.23 106.04 56.12 Favored Pre-proline 0 N--CA 1.441 -0.912 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.74 97.01 1.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.213 2.608 . . . . 0.0 109.337 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -99.02 161.71 13.47 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 t -92.8 -21.68 19.77 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.908 1.283 . . . . 0.0 108.117 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.02 172.53 11.5 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 124.956 1.302 . . . . 0.0 111.892 -165.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.662 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 9.9 m-85 -82.19 157.31 24.02 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 124.198 0.999 . . . . 0.0 109.277 -171.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.8 p -115.72 -175.39 2.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 171.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.3 -27.92 63.75 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 123.935 0.894 . . . . 0.0 110.583 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.06 -25.42 59.82 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.881 1.672 . . . . 0.0 111.694 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -84.21 -49.7 8.57 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HB3' ' HZ1' ' A' ' 22' ' ' LYS . 68.1 mt -56.96 -42.74 80.67 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -175.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.496 1.118 . . . . 0.0 113.197 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -68.1 -43.96 77.3 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.305 1.442 . . . . 0.0 109.937 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.91 -24.26 61.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 125.277 1.431 . . . . 0.0 112.016 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' HZ1' ' HB3' ' A' ' 18' ' ' LEU . 31.9 mttp -81.31 -22.29 38.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.412 1.485 . . . . 0.0 110.234 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.33 33.13 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.526 0.73 . . . . 0.0 109.273 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -72.04 -34.4 68.76 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.503 1.121 . . . . 0.0 110.355 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.655 ' HE2' ' CE1' ' A' ' 25' ' ' PHE . 53.6 t80 -48.97 -31.72 7.91 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.133 2.573 . . . . 0.0 113.887 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -65.79 -59.73 3.6 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 124.285 1.034 . . . . 0.0 111.846 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.1 m -84.38 -65.98 0.95 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -105.22 97.12 7.01 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 126.077 1.751 . . . . 0.0 107.758 -170.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -92.25 -71.51 0.64 Allowed 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 1.608 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 54.0 m-85 -91.82 84.76 5.44 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 173.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.86 178.42 0.12 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.296 2.238 . . . . 0.0 110.954 169.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.5 p -82.92 175.41 10.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 125.199 1.4 . . . . 0.0 107.86 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -73.74 -17.89 61.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.592 0.757 . . . . 0.0 110.524 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -94.57 -36.0 12.0 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 111.103 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -84.11 -33.7 24.28 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 124.103 0.961 . . . . 0.0 109.813 -174.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -63.85 -38.79 92.39 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.49 1.116 . . . . 0.0 109.159 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.64 -25.6 66.66 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 126.261 1.824 . . . . 0.0 111.773 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -80.66 -28.72 36.77 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 122.145 -0.347 . . . . 0.0 110.574 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -73.55 -29.55 62.51 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.99 -24.84 59.66 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 125.746 1.618 . . . . 0.0 111.8 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -79.68 -31.89 41.39 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 121.677 -0.639 . . . . 0.0 109.844 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.54 -58.26 2.42 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -165.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.8 mt -68.5 -31.83 71.38 Favored 'General case' 0 CA--C 1.498 -1.031 0 C-N-CA 124.268 1.027 . . . . 0.0 108.525 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 40.98 4.07 Favored Glycine 0 CA--C 1.491 -1.437 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.2 mt -93.46 -170.7 2.43 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -118.68 169.61 9.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 103.967 -2.605 . . . . 0.0 103.967 168.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.12 -30.93 65.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.869 0.868 . . . . 0.0 110.231 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 t -65.84 -39.24 90.62 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.8 2.04 . . . . 0.0 111.483 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.5 -32.32 66.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.133 0.973 . . . . 0.0 111.713 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -83.79 -28.66 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.325 1.05 . . . . 0.0 109.166 -174.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' HZ1' HE22 ' A' ' 55' ' ' GLN . 63.6 tttm -60.01 -47.95 83.73 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.606 1.562 . . . . 0.0 109.744 176.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -46.14 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 C-N-CA 128.107 2.563 . . . . 0.0 110.751 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -58.08 -46.19 85.89 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.442 1.897 . . . . 0.0 113.06 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -76.65 -25.45 53.76 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.748 0.819 . . . . 0.0 110.739 -176.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.462 HE22 ' HZ1' ' A' ' 51' ' ' LYS . 87.0 mt-30 -83.59 -19.07 36.19 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 124.726 1.21 . . . . 0.0 111.699 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -77.18 -40.77 44.09 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 124.895 1.278 . . . . 0.0 108.322 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.92 -35.58 81.0 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.413 1.085 . . . . 0.0 112.026 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -75.38 -19.55 59.48 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.986 0.914 . . . . 0.0 111.908 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.5 -30.37 52.98 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.929 0.892 . . . . 0.0 110.435 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -70.97 -35.47 72.15 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.656 1.182 . . . . 0.0 110.282 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.8 mt -74.49 135.3 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -96.63 83.92 3.56 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -78.7 -168.15 1.32 Allowed 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 125.028 1.331 . . . . 0.0 109.859 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.6 -77.21 0.13 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.956 0.902 . . . . 0.0 109.376 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.1 m -108.48 116.23 31.59 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -109.93 -63.64 1.35 Allowed 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.607 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.578 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 CA-C-O 118.332 -1.26 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.7 -6.77 15.46 Favored 'Trans proline' 0 CA--C 1.51 -0.689 0 C-N-CA 123.226 2.617 . . . . 0.0 110.895 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.9 mtt -97.32 163.99 12.66 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.17 144.36 25.7 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -112.55 163.06 14.95 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -92.93 166.51 12.35 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -116.03 25.22 10.86 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -94.31 155.21 40.07 Favored Pre-proline 0 N--CA 1.439 -0.993 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -78.84 86.41 1.69 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.271 2.647 . . . . 0.0 109.898 174.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -102.1 -142.0 0.35 Allowed 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -93.04 17.16 11.24 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 170.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.48 114.88 18.76 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 124.946 1.298 . . . . 0.0 107.8 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.622 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 16.7 m-30 -100.35 174.59 6.05 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 -174.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.2 p -100.18 179.78 4.37 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.8 70.18 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 123.999 0.919 . . . . 0.0 111.274 -176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.89 -24.33 52.55 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.202 1.401 . . . . 0.0 111.409 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -80.42 -51.15 9.16 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.064 0.946 . . . . 0.0 109.571 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.37 -50.69 66.91 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 126.637 1.975 . . . . 0.0 113.014 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.52 -28.89 68.91 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.592 1.157 . . . . 0.0 113.182 -172.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -71.86 -35.94 69.97 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.359 1.464 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.0 mt -75.78 -28.19 58.31 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 123.925 0.89 . . . . 0.0 111.441 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -72.88 -29.16 62.95 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 123.728 0.811 . . . . 0.0 110.106 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.35 58.26 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.78 1.232 . . . . 0.0 110.13 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.79 -40.89 63.09 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.06 1.344 . . . . 0.0 109.782 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.594 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 9.0 t80 -58.8 -26.6 64.26 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.003 2.521 . . . . 0.0 112.493 -176.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -58.47 -51.42 69.91 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.976 1.31 . . . . 0.0 112.246 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 m -86.37 -67.93 0.78 Allowed 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -115.36 115.68 27.0 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 125.351 1.461 . . . . 0.0 108.521 -167.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -86.3 -46.01 10.71 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 1.662 ' HD1' ' CD2' ' A' ' 30' ' ' TYR . 94.6 m-85 -73.56 97.9 2.71 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 126.105 1.762 . . . . 0.0 109.72 -162.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD21 HH21 ' A' ' 35' ' ' ARG . 69.6 mt -75.87 149.3 37.83 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.081 177.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.461 ' HG1' ' H ' ' A' ' 34' ' ' GLN . 82.3 p -101.59 -177.4 3.42 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.43 -22.33 61.11 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.605 0.762 . . . . 0.0 109.29 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' H ' ' HG1' ' A' ' 32' ' ' THR . 64.9 tp60 -91.01 -48.37 7.03 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.033 0.933 . . . . 0.0 110.613 -174.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.517 HH21 HD21 ' A' ' 31' ' ' LEU . 39.3 mtp85 -61.45 -46.08 91.57 Favored 'General case' 0 CA--C 1.494 -1.206 0 C-N-CA 125.402 1.481 . . . . 0.0 111.173 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -64.92 -39.83 94.12 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.214 1.406 . . . . 0.0 110.992 -174.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -66.5 -26.7 67.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 125.842 1.657 . . . . 0.0 111.959 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -83.02 -25.85 31.79 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.689 0.396 . . . . 0.0 110.089 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.86 -22.07 58.89 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 123.682 0.793 . . . . 0.0 109.025 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.13 65.34 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.469 1.108 . . . . 0.0 111.365 176.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -86.0 -20.39 28.96 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 121.483 -0.761 . . . . 0.0 109.506 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -76.09 -68.6 0.57 Allowed 'General case' 0 CA--C 1.493 -1.242 0 C-N-CA 124.009 0.924 . . . . 0.0 112.262 -167.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.1 mt -79.12 -27.87 42.9 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 125.454 1.501 . . . . 0.0 107.55 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.07 37.89 3.49 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 106.941 -2.464 . . . . 0.0 106.941 174.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.44 -156.75 0.58 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -117.41 -172.08 2.16 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 171.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.22 -43.64 56.32 Favored 'General case' 0 CA--C 1.496 -1.131 0 C-N-CA 124.383 1.073 . . . . 0.0 109.626 173.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -67.64 -33.81 75.7 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.092 2.157 . . . . 0.0 112.724 -166.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -72.19 -34.78 68.66 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.135 0.974 . . . . 0.0 111.343 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.05 -20.16 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 C-N-CA 125.005 1.322 . . . . 0.0 108.694 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -66.96 -43.64 82.59 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.855 1.262 . . . . 0.0 109.499 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.17 -45.1 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 128.291 2.636 . . . . 0.0 110.282 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.06 -40.09 88.26 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 125.9 1.68 . . . . 0.0 112.252 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.662 ' HE2' ' CE1' ' A' ' 54' ' ' PHE . 6.4 m-85 -77.45 -25.25 50.44 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.357 0.663 . . . . 0.0 111.169 -176.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.82 -18.08 38.86 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.273 1.029 . . . . 0.0 111.059 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -78.2 -37.3 45.91 Favored 'General case' 0 CA--C 1.503 -0.828 0 C-N-CA 124.847 1.259 . . . . 0.0 108.858 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -75.69 -11.48 60.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.627 1.571 . . . . 0.0 111.642 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -85.99 -38.27 18.09 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 168.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.45 33.8 0.9 Allowed 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 124.991 1.316 . . . . 0.0 111.982 -172.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -70.26 -54.2 13.71 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 170.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.1 tt -84.25 157.79 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.514 0 C-N-CA 125.57 1.548 . . . . 0.0 109.197 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -119.1 -65.77 1.14 Allowed 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -95.78 -138.0 0.24 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.4 -42.09 13.1 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.3 m -101.94 145.76 28.8 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 172.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -82.5 -90.08 0.08 Allowed 'General case' 0 C--N 1.357 0.913 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.657 0 C-N-CA 125.269 1.428 . . . . 0.0 110.926 -179.427 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.62 -10.58 18.65 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.366 2.711 . . . . 0.0 110.166 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.3 ptp -141.04 -145.05 0.17 Allowed 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 103.541 -2.763 . . . . 0.0 103.541 173.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.89 -50.43 56.31 Favored 'General case' 0 CA--C 1.502 -0.874 0 C-N-CA 124.545 1.138 . . . . 0.0 110.375 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -91.5 157.26 17.13 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.276 1.03 . . . . 0.0 108.728 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.35 151.92 25.35 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.04 114.61 21.74 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -155.96 157.4 31.31 Favored Pre-proline 0 N--CA 1.438 -1.043 0 N-CA-C 105.123 -2.177 . . . . 0.0 105.123 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -73.73 108.7 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.161 2.574 . . . . 0.0 109.686 172.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -95.48 177.91 5.66 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -79.58 -35.26 39.93 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.074 1.35 . . . . 0.0 108.693 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.55 -135.25 0.28 Allowed 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.666 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 49.5 m-85 -82.85 161.36 21.95 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 176.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -101.29 -179.0 3.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 175.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.02 70.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 123.296 0.638 . . . . 0.0 111.166 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -79.05 -25.25 43.17 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 125.201 1.401 . . . . 0.0 111.724 -176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.17 -44.12 18.34 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -55.17 -53.93 49.71 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.686 1.595 . . . . 0.0 112.65 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.72 -29.51 69.52 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.191 1.397 . . . . 0.0 113.321 -171.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -66.04 -41.28 91.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.177 1.791 . . . . 0.0 110.102 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.08 -21.09 54.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 112.429 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.09 -32.71 69.4 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.95 -25.09 37.66 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.778 1.231 . . . . 0.0 110.631 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -79.36 -43.94 22.5 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.53 31.24 1.37 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.605 1.162 . . . . 0.0 110.903 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -92.66 -62.07 1.47 Allowed 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.254 1.821 . . . . 0.0 106.561 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -86.39 -59.67 2.21 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -83.2 110.26 17.91 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.025 1.33 . . . . 0.0 109.912 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -97.01 -23.09 16.44 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 168.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -85.08 65.48 9.26 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 126.75 2.02 . . . . 0.0 107.831 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tt -100.12 129.43 46.15 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.4 p -94.43 155.94 16.72 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -170.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.82 -11.19 60.3 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.779 1.232 . . . . 0.0 111.094 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.47 -48.15 10.62 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.79 -22.25 34.3 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.926 -0.484 . . . . 0.0 110.86 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.537 HH11 ' HA ' ' A' ' 51' ' ' LYS . 6.6 ttm180 -53.31 -23.25 8.74 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.13 1.372 . . . . 0.0 113.902 167.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -88.29 -9.51 52.61 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 121.852 -0.53 . . . . 0.0 109.913 -174.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 t -97.4 -22.94 16.32 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.85 -28.06 63.3 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 170.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.69 -28.49 62.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.57 1.148 . . . . 0.0 111.628 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.82 -32.87 62.08 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 121.335 -0.853 . . . . 0.0 110.654 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -85.56 -50.03 7.56 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -164.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -72.91 -29.1 62.87 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 35.57 6.56 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.4 mt -101.92 -165.0 1.14 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -106.1 -178.7 3.73 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.72 -39.88 66.59 Favored 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 123.857 0.863 . . . . 0.0 109.064 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.914 2.486 . . . . 0.0 112.837 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -68.59 -46.31 69.7 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.176 0.99 . . . . 0.0 110.289 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 mt -81.43 -18.12 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 109.362 -174.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HA ' HH11 ' A' ' 36' ' ' ARG . 78.8 tttt -66.1 -47.77 73.12 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.659 1.184 . . . . 0.0 109.849 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -59.84 -45.05 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 128.098 2.559 . . . . 0.0 110.006 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -59.95 -42.05 93.22 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.63 1.572 . . . . 0.0 112.501 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 54' ' ' PHE . 28.2 m-85 -76.13 -29.9 57.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 123.444 0.698 . . . . 0.0 110.812 -178.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.05 0.94 . . . . 0.0 111.505 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.97 -43.44 58.12 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 109.098 174.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.52 -37.37 85.81 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 124.651 1.18 . . . . 0.0 112.751 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -74.17 -20.26 60.27 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 125.442 1.497 . . . . 0.0 111.308 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.87 -29.67 44.6 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.004 0.921 . . . . 0.0 110.545 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -72.38 -56.07 6.06 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 123.911 0.885 . . . . 0.0 109.585 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.2 tt -74.47 153.22 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 C-N-CA 125.057 1.343 . . . . 0.0 109.381 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.14 -32.18 0.96 Allowed 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.508 ' HZ3' HE21 ' A' ' 66' ' ' GLN . 83.2 mttt -93.4 -158.87 0.64 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.23 -41.13 8.83 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.554 HG21 ' H ' ' A' ' 66' ' ' GLN . 4.0 t -81.97 -88.23 0.09 Allowed 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 125.218 1.407 . . . . 0.0 109.171 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.554 ' H ' HG21 ' A' ' 65' ' ' THR . 20.6 pt20 -105.01 -179.96 4.1 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.211 1.004 . . . . 0.0 108.613 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.68 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 170.579 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -76.45 -18.7 15.53 Favored 'Trans proline' 0 CA--C 1.506 -0.905 0 C-N-CA 123.247 2.631 . . . . 0.0 111.796 -171.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.9 mmm -106.93 145.24 32.46 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.03 -120.49 0.03 OUTLIER 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 104.015 -2.587 . . . . 0.0 104.015 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -102.05 21.51 14.67 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 172.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -143.55 175.02 10.26 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -176.1 5.35 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -87.57 153.98 53.31 Favored Pre-proline 0 N--CA 1.441 -0.899 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.01 162.84 34.01 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.127 2.551 . . . . 0.0 108.495 167.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -132.18 -81.61 0.5 Allowed 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 104.675 -2.343 . . . . 0.0 104.675 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.2 m -91.52 -56.72 3.02 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.98 125.75 29.78 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 124.446 1.098 . . . . 0.0 109.543 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -99.36 -177.98 3.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.6 p -112.22 177.3 4.69 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 174.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.45 -24.01 61.14 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.471 1.108 . . . . 0.0 111.626 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -77.67 -25.66 49.72 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.556 1.542 . . . . 0.0 109.937 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -81.72 -52.71 6.87 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.36 -17.07 52.18 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 126.862 2.065 . . . . 0.0 113.896 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -59.06 -59.47 5.42 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.663 1.585 . . . . 0.0 110.405 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -62.94 -43.53 98.55 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 126.862 2.065 . . . . 0.0 112.722 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.0 mt -70.23 -36.93 74.84 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.1 0.96 . . . . 0.0 112.317 -169.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -77.72 -29.01 51.03 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.35 0.66 . . . . 0.0 110.093 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.11 46.15 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.143 0.977 . . . . 0.0 112.011 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -93.43 -33.51 13.8 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.625 ' HD2' ' CD1' ' A' ' 25' ' ' PHE . 68.8 t80 -63.56 -31.54 72.73 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.928 1.691 . . . . 0.0 111.886 -174.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.34 -51.97 67.25 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.1 m -85.9 -49.6 7.75 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.36 96.02 5.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.911 1.284 . . . . 0.0 108.222 -168.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.63 -56.24 4.88 Favored 'General case' 0 CA--C 1.491 -1.294 0 C-N-CA 122.95 0.5 . . . . 0.0 110.239 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 1.667 ' HE2' ' CE1' ' A' ' 30' ' ' TYR . 89.0 m-85 -72.54 101.13 2.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 122.444 1.116 . . . . 0.0 110.39 -168.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.14 146.91 40.95 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.462 2.305 . . . . 0.0 108.425 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -97.83 155.67 16.94 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.13 -12.07 60.76 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.308 1.043 . . . . 0.0 110.824 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.74 -46.85 10.31 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -82.6 -27.47 31.48 Favored 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 121.818 -0.551 . . . . 0.0 111.422 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -51.2 -33.0 25.6 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 125.645 1.578 . . . . 0.0 112.94 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -85.39 -20.08 30.42 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.45 -170.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -88.33 -23.3 23.45 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.902 1.281 . . . . 0.0 108.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.58 -26.46 55.08 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -29.54 63.98 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.903 0.881 . . . . 0.0 111.026 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.72 -28.41 33.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.701 -0.624 . . . . 0.0 109.848 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.88 -68.29 0.73 Allowed 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 123.891 0.876 . . . . 0.0 112.421 -165.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -72.13 -28.86 63.54 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 126.301 1.84 . . . . 0.0 107.625 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.81 48.67 2.26 Favored Glycine 0 CA--C 1.486 -1.754 0 N-CA-C 106.643 -2.583 . . . . 0.0 106.643 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 mt -102.54 -169.78 1.71 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -122.39 175.82 6.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 168.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -71.88 -36.18 69.98 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.978 0.911 . . . . 0.0 109.83 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -68.98 -32.9 72.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 126.759 2.024 . . . . 0.0 111.727 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.64 -36.1 62.87 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.33 1.052 . . . . 0.0 110.977 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.9 mt -80.68 -28.02 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.892 1.277 . . . . 0.0 108.939 -174.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -55.6 -47.8 75.9 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.649 1.979 . . . . 0.0 110.369 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.31 -51.1 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 C-N-CA 127.639 2.376 . . . . 0.0 110.647 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -55.84 -49.21 73.93 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.258 1.823 . . . . 0.0 113.409 -170.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.606 ' HE1' ' CE2' ' A' ' 54' ' ' PHE . 19.9 m-85 -74.32 -30.81 62.21 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.72 0.808 . . . . 0.0 111.883 -171.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -72.79 -36.09 67.52 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 123.819 0.848 . . . . 0.0 111.365 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -69.12 -40.78 78.09 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.443 1.497 . . . . 0.0 110.933 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -65.32 -41.63 93.81 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 125.767 1.627 . . . . 0.0 113.135 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -70.02 -56.33 7.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.127 0.971 . . . . 0.0 111.111 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.53 40.88 1.06 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.726 1.61 . . . . 0.0 112.806 -171.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -56.16 -60.04 4.07 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 124.676 1.19 . . . . 0.0 111.631 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 tt -79.99 153.02 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 C-N-CA 124.3 1.04 . . . . 0.0 109.74 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -144.98 -26.06 0.49 Allowed 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -91.85 -177.79 4.84 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 125.622 1.569 . . . . 0.0 108.903 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.41 -64.27 1.18 Allowed 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 123.929 0.892 . . . . 0.0 109.729 -173.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -81.24 175.11 10.9 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.662 1.185 . . . . 0.0 108.474 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -86.06 -76.33 0.34 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.664 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.436 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 CA-C-O 118.554 -1.136 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -76.3 -54.81 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.926 2.418 . . . . 0.0 111.56 -170.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -154.46 -158.61 0.87 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -172.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.96 71.9 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.021 1.728 . . . . 0.0 111.816 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -84.41 139.6 32.12 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 173.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.12 118.3 27.59 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -115.02 -135.21 0.35 Allowed 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.01 139.99 85.61 Favored Pre-proline 0 N--CA 1.443 -0.794 0 CA-C-O 117.547 -1.216 . . . . 0.0 108.085 175.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.94 101.58 1.48 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.288 2.659 . . . . 0.0 110.223 -174.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -102.68 160.76 14.3 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 t -81.37 -23.79 37.46 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 124.139 0.976 . . . . 0.0 109.139 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.1 139.89 39.05 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 123.805 0.842 . . . . 0.0 109.84 -173.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.605 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 6.1 m-85 -99.93 171.43 7.85 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p -114.62 179.19 4.02 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 170.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.51 -24.57 62.86 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.492 1.117 . . . . 0.0 111.248 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.81 -35.19 76.7 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 125.889 1.676 . . . . 0.0 110.998 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -85.81 -47.87 9.31 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 123.676 0.79 . . . . 0.0 108.997 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.5 -43.35 84.14 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.834 1.653 . . . . 0.0 112.437 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.49 -52.25 62.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.558 1.943 . . . . 0.0 112.806 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.55 -26.63 55.34 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.197 0.999 . . . . 0.0 111.646 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -72.63 -21.86 61.04 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.006 0.522 . . . . 0.0 111.592 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -75.57 -22.28 57.12 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 118.33 0.514 . . . . 0.0 110.103 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.98 37.6 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.971 0.908 . . . . 0.0 109.298 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -84.82 -4.42 59.07 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.411 1.084 . . . . 0.0 110.375 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 1.657 ' HE1' ' CE2' ' A' ' 25' ' ' PHE . 24.1 t80 -92.63 -35.84 13.31 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 174.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -74.36 -61.58 1.82 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.1 0.96 . . . . 0.0 110.174 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -88.3 -61.64 1.67 Allowed 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 123.652 0.781 . . . . 0.0 108.96 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -100.95 53.89 0.85 Allowed 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 125.052 1.341 . . . . 0.0 109.871 -164.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -69.72 -35.93 75.46 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 124.83 1.252 . . . . 0.0 112.087 -171.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -79.94 86.49 5.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 125.562 1.545 . . . . 0.0 109.29 -167.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -79.65 156.08 27.77 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.762 1.625 . . . . 0.0 110.646 -174.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -120.99 -179.7 4.1 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 104.627 -2.361 . . . . 0.0 104.627 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.95 -31.22 66.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -83.16 -40.98 19.02 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.908 1.283 . . . . 0.0 110.411 -167.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -21.49 19.43 Favored 'General case' 0 CA--C 1.482 -1.666 0 O-C-N 121.839 -0.538 . . . . 0.0 111.162 -172.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.73 -35.96 75.6 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 124.21 1.004 . . . . 0.0 109.736 166.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -93.2 -0.77 56.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.98 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.4 m -86.2 -25.41 25.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 167.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.5 -24.66 45.73 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 171.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.89 -25.4 58.91 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.76 -36.28 50.79 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.24 -68.8 0.58 Allowed 'General case' 0 CA--C 1.493 -1.23 0 C-N-CA 124.935 1.294 . . . . 0.0 113.389 -164.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -73.46 -25.54 60.53 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 126.064 1.745 . . . . 0.0 108.346 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.1 47.1 2.7 Favored Glycine 0 CA--C 1.488 -1.649 0 N-CA-C 107.013 -2.435 . . . . 0.0 107.013 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.74 -165.57 1.22 Allowed 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -123.78 178.71 5.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.48 -32.52 64.36 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.015 0.926 . . . . 0.0 109.538 173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -70.03 -31.53 69.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 127.381 2.273 . . . . 0.0 111.146 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -71.53 -47.59 54.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.807 1.243 . . . . 0.0 110.721 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.77 -30.61 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 124.095 0.958 . . . . 0.0 110.601 -163.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -63.65 -43.38 96.92 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.019 -1.051 . . . . 0.0 112.083 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.84 -46.0 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 C-N-CA 128.034 2.533 . . . . 0.0 110.488 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -59.77 -42.19 92.76 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.855 1.662 . . . . 0.0 112.105 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.676 ' HD2' ' CD1' ' A' ' 54' ' ' PHE . 7.0 m-85 -75.3 -28.71 59.81 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 123.543 0.737 . . . . 0.0 110.862 -177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -78.18 -22.11 49.15 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.632 0.773 . . . . 0.0 111.515 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.72 -43.23 56.1 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.68 1.192 . . . . 0.0 109.346 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -32.56 72.91 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 126.254 1.822 . . . . 0.0 112.326 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -78.86 -22.78 45.56 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 123.139 0.575 . . . . 0.0 110.473 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.69 6.83 32.91 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.899 0.879 . . . . 0.0 111.567 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.64 -7.74 57.94 Favored 'General case' 0 C--N 1.358 0.955 0 O-C-N 121.374 -0.829 . . . . 0.0 110.599 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.9 tt -72.81 160.92 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 C-N-CA 125.738 1.615 . . . . 0.0 107.902 167.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.73 83.64 5.32 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -176.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -114.49 -155.11 0.56 Allowed 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 170.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.52 -63.96 1.18 Allowed 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.169 0.988 . . . . 0.0 109.704 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.0 m -91.34 115.74 28.28 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -116.41 153.74 31.52 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.617 0 C-N-CA 126.086 1.754 . . . . 0.0 111.707 -179.604 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -118.91 -175.18 2.85 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.48 -27.21 64.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 -170.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -86.47 -21.51 26.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 123.985 0.914 . . . . 0.0 110.634 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -81.21 -48.46 12.04 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.06 -39.76 72.52 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.592 1.957 . . . . 0.0 112.741 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -55.94 -47.65 77.17 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.25 1.82 . . . . 0.0 111.882 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.472 HH12 ' HB2' ' A' ' 42' ' ' GLU . 71.8 ttt180 -61.27 -44.43 97.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.941 1.696 . . . . 0.0 111.551 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 mt -71.11 -29.14 64.88 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.396 0.678 . . . . 0.0 112.716 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmp? -74.83 -28.28 60.62 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 124.256 1.022 . . . . 0.0 110.565 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.18 -33.63 63.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.227 1.011 . . . . 0.0 110.15 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.34 -45.03 49.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.366 1.067 . . . . 0.0 109.663 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.87 -35.74 73.47 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 127.616 2.366 . . . . 0.0 111.738 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -62.07 -43.72 98.22 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.53 1.532 . . . . 0.0 111.58 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 m -80.33 -71.81 0.44 Allowed 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -112.98 114.93 27.6 Favored 'General case' 0 N--CA 1.427 -1.612 0 C-N-CA 126.001 1.72 . . . . 0.0 107.69 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -78.33 -21.74 49.11 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -79.27 89.15 4.91 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 125.899 1.68 . . . . 0.0 108.535 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 54' ' ' PHE . 51.9 tp -82.9 142.2 31.64 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -107.92 163.83 12.79 Favored 'General case' 0 CA--C 1.489 -1.383 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.67 -18.2 61.58 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 123.301 0.64 . . . . 0.0 111.346 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -90.17 -41.11 11.81 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 124.306 1.042 . . . . 0.0 109.984 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -77.89 -34.18 51.64 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.345 0.658 . . . . 0.0 109.684 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HE ' HD23 ' A' ' 31' ' ' LEU . 41.7 ttm180 -56.11 -32.72 64.45 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.011 1.724 . . . . 0.0 112.733 172.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -69.79 -27.21 64.71 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 125.555 1.542 . . . . 0.0 111.54 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.6 m -88.11 -28.6 21.19 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 109.849 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.69 -29.55 62.36 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.25 64.75 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 125.5 1.52 . . . . 0.0 110.686 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -75.96 -41.41 51.6 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HB2' HH12 ' A' ' 20' ' ' ARG . 55.0 mm-40 -93.99 -39.01 10.87 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -161.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.92 -32.08 67.01 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.23 34.38 6.76 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -100.12 -158.57 0.68 Allowed 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -114.56 179.81 3.85 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 165.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.43 -40.62 66.94 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 123.878 0.871 . . . . 0.0 109.922 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -64.34 -26.59 68.54 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 126.632 1.973 . . . . 0.0 113.433 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -73.82 -39.39 64.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.206 1.003 . . . . 0.0 110.655 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -88.02 -19.84 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 125.51 1.524 . . . . 0.0 109.182 -174.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.39 -49.12 72.83 Favored 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 125.177 1.391 . . . . 0.0 108.988 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.79 -44.57 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 128.153 2.581 . . . . 0.0 110.765 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -57.59 -47.06 83.16 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.561 1.545 . . . . 0.0 111.441 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 31' ' ' LEU . 3.3 m-85 -72.08 -33.0 67.57 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.074 0.95 . . . . 0.0 110.965 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.59 -30.92 64.8 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.15 0.98 . . . . 0.0 111.967 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -74.83 -42.38 58.11 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 125.364 1.466 . . . . 0.0 109.81 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt . . . . . 0 CA--C 1.501 -0.938 0 C-N-CA 125.894 1.678 . . . . 0.0 112.542 -176.848 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.436 -1.136 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.5 p -107.09 178.14 4.65 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 169.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.4 66.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 123.958 0.903 . . . . 0.0 111.291 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -73.99 -29.83 62.17 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.409 1.484 . . . . 0.0 111.225 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -79.49 -49.43 12.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.707 0.803 . . . . 0.0 109.208 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -55.31 -39.98 70.57 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.627 1.971 . . . . 0.0 112.944 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -54.47 -49.5 69.96 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 126.906 2.082 . . . . 0.0 111.919 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.38 -42.68 96.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.341 1.456 . . . . 0.0 111.869 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.07 -27.86 67.71 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.502 1.121 . . . . 0.0 113.45 -174.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -75.61 -29.72 59.31 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.852 1.261 . . . . 0.0 110.199 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -27.78 38.32 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.191 0.997 . . . . 0.0 109.847 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -88.56 -14.66 37.11 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 124.414 1.086 . . . . 0.0 111.447 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -79.42 -36.76 38.5 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -64.76 -44.32 90.45 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.927 1.691 . . . . 0.0 110.639 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -76.61 -70.0 0.48 Allowed 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 124.217 1.007 . . . . 0.0 108.468 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.76 98.7 10.95 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 124.909 1.284 . . . . 0.0 108.326 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -83.03 -38.63 22.32 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -85.46 66.46 9.69 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 126.848 2.059 . . . . 0.0 106.676 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.92 121.2 24.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.85 2.06 . . . . 0.0 105.755 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -94.17 167.45 11.55 Favored 'General case' 0 CA--C 1.495 -1.147 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.95 -17.0 60.62 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 123.556 0.742 . . . . 0.0 111.416 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -86.77 -35.57 19.09 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.126 1.37 . . . . 0.0 108.833 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -80.04 -38.3 32.21 Favored 'General case' 0 CA--C 1.488 -1.436 0 C-N-CA 124.952 1.301 . . . . 0.0 109.485 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -61.5 -34.28 75.23 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.661 1.184 . . . . 0.0 111.911 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -87.35 -4.88 59.05 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -90.8 -21.68 21.39 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.93 -25.82 48.59 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 171.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -26.88 60.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.63 0.772 . . . . 0.0 110.832 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -74.55 -38.39 62.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 O-C-N 121.876 -0.515 . . . . 0.0 109.745 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.93 -45.81 7.78 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -164.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.92 -29.54 65.61 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.6 37.54 6.48 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 174.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 mt -104.24 -163.81 1.0 Allowed 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.44 -177.95 3.46 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 171.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.18 -39.69 65.41 Favored 'General case' 0 CA--C 1.496 -1.123 0 C-N-CA 124.019 0.927 . . . . 0.0 109.165 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -69.58 -27.79 65.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.282 2.233 . . . . 0.0 112.752 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -70.08 -46.09 65.63 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 124.058 0.943 . . . . 0.0 109.962 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.84 -19.48 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 C-N-CA 125.68 1.592 . . . . 0.0 109.157 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -64.26 -48.48 75.59 Favored 'General case' 0 CA--C 1.494 -1.185 0 C-N-CA 125.91 1.684 . . . . 0.0 110.167 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.06 -43.41 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 C-N-CA 128.385 2.674 . . . . 0.0 110.442 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -62.75 -43.57 98.45 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 124.723 1.209 . . . . 0.0 111.888 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -75.31 -25.68 58.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.291 0.636 . . . . 0.0 110.594 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -70.15 -27.59 64.67 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.095 0.958 . . . . 0.0 111.194 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.88 -47.3 53.78 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.356 1.062 . . . . 0.0 109.579 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt . . . . . 0 C--N 1.358 0.939 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -176.007 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 CA--C 1.503 -0.841 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 p -119.16 -171.19 2.06 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 163.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.68 -33.41 66.5 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 123.53 0.732 . . . . 0.0 110.625 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -77.45 -24.46 50.29 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.468 1.507 . . . . 0.0 111.761 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.15 -41.73 27.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 123.289 0.636 . . . . 0.0 109.528 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD22 ' HE1' ' A' ' 53' ' ' TRP . 81.1 mt -63.84 -42.67 97.55 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.74 1.216 . . . . 0.0 113.469 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -71.27 -28.78 64.38 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.682 0.793 . . . . 0.0 112.316 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -72.48 -32.54 66.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.035 1.334 . . . . 0.0 110.445 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.62 -22.9 58.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.381 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -78.34 -23.25 47.06 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.082 0.856 . . . . 0.0 109.854 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.23 -22.33 41.89 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.128 0.971 . . . . 0.0 110.015 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.53 -37.59 22.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.382 1.073 . . . . 0.0 109.126 172.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.34 -30.71 68.8 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.684 1.594 . . . . 0.0 112.48 -168.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.77 -40.37 96.52 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 m -92.03 -47.88 7.04 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -118.86 111.05 17.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.82 -163.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.43 -74.2 0.36 Allowed 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 167.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.27 99.53 7.12 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.103 1.361 . . . . 0.0 108.762 -166.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.424 HD22 ' HE ' ' A' ' 35' ' ' ARG . 81.5 mt -74.71 169.02 18.68 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.583 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.2 p -94.06 178.15 5.74 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.4 -29.61 63.9 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -82.76 -40.11 20.94 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 124.881 1.272 . . . . 0.0 111.314 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HE ' HD22 ' A' ' 31' ' ' LEU . 57.5 mtp85 -68.11 -47.43 68.2 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -64.56 -39.61 94.07 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.745 1.218 . . . . 0.0 112.165 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.68 -8.32 59.14 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 122.863 0.465 . . . . 0.0 111.788 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 t -92.64 -18.84 22.52 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.23 -23.17 43.92 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.27 60.66 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.062 0.945 . . . . 0.0 110.882 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -82.1 -28.23 32.42 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 121.822 -0.549 . . . . 0.0 110.027 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -81.63 -69.66 0.6 Allowed 'General case' 0 CA--C 1.491 -1.298 0 C-N-CA 123.892 0.877 . . . . 0.0 112.234 -164.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.18 -26.02 58.73 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 126.299 1.84 . . . . 0.0 107.963 -177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.76 42.72 2.82 Favored Glycine 0 CA--C 1.487 -1.707 0 N-CA-C 107.283 -2.327 . . . . 0.0 107.283 171.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.9 -164.72 1.15 Allowed 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -115.11 -174.15 2.44 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 103.102 -2.925 . . . . 0.0 103.102 164.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.31 -41.17 57.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -64.61 -29.84 70.86 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 127.53 2.332 . . . . 0.0 113.264 -173.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -69.46 -35.75 75.92 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.232 1.013 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.91 -22.46 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 123.388 0.675 . . . . 0.0 109.487 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.96 -32.53 69.42 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.792 0.837 . . . . 0.0 110.699 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.37 -42.75 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 C-N-CA 126.799 2.04 . . . . 0.0 109.407 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.4 ' HE1' HD22 ' A' ' 18' ' ' LEU . 69.2 t90 -63.04 -30.67 71.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.927 1.691 . . . . 0.0 112.114 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -80.36 -28.43 38.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.079 0.952 . . . . 0.0 110.228 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.24 -26.96 62.22 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 118.97 0.804 . . . . 0.0 110.677 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -75.78 -57.59 3.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 124.81 1.244 . . . . 0.0 110.121 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.355 0.848 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -172.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.5 p -103.01 -179.08 3.85 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.48 67.61 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.257 1.023 . . . . 0.0 110.97 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.27 -29.52 60.16 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.416 1.486 . . . . 0.0 111.19 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.37 -49.04 12.03 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 123.454 0.702 . . . . 0.0 109.277 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -51.65 -44.61 63.06 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.242 1.817 . . . . 0.0 112.835 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -53.84 -49.15 69.06 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.831 2.052 . . . . 0.0 112.72 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -39.87 95.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.402 1.881 . . . . 0.0 111.787 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.8 -29.53 62.22 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 124.63 1.172 . . . . 0.0 111.851 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -82.24 -21.89 36.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.976 1.31 . . . . 0.0 110.035 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.59 -34.56 35.13 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 109.075 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.95 -54.72 7.31 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.85 1.26 . . . . 0.0 110.259 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -73.9 -25.3 59.93 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.693 1.197 . . . . 0.0 111.873 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -71.12 -48.17 53.76 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.851 0.86 . . . . 0.0 110.703 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.4 m -73.05 -69.8 0.4 Allowed 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.268 1.027 . . . . 0.0 108.52 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -100.55 112.72 25.14 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 105.804 -1.925 . . . . 0.0 105.804 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.41 20.13 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -68.95 97.56 0.86 Allowed 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.612 1.565 . . . . 0.0 110.735 -166.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.613 HD12 ' HE ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -94.62 124.88 38.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 112.858 -1.974 . . . . 0.0 106.372 -171.389 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -101.33 178.41 4.65 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.93 -31.84 64.88 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.664 1.186 . . . . 0.0 108.552 173.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -76.92 -38.53 53.26 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 125.523 1.529 . . . . 0.0 110.364 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.439 HH21 HD22 ' A' ' 31' ' ' LEU . 24.5 mtp85 -72.65 -43.7 62.84 Favored 'General case' 0 CA--C 1.489 -1.367 0 C-N-CA 124.889 1.276 . . . . 0.0 109.446 175.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.613 ' HE ' HD12 ' A' ' 31' ' ' LEU . 27.8 ttm180 -59.8 -34.0 72.46 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -88.1 -5.64 58.35 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 122.534 0.334 . . . . 0.0 110.826 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.1 m -89.69 -24.53 21.56 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.77 -29.94 56.3 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.24 64.26 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 123.666 0.786 . . . . 0.0 110.37 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -72.81 -40.92 65.44 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.372 0.669 . . . . 0.0 109.8 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -92.51 -45.33 8.18 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -162.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -72.27 -30.39 64.8 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.18 39.09 6.15 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 107.833 -2.107 . . . . 0.0 107.833 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -105.7 -169.01 1.52 Allowed 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -107.53 -179.3 3.87 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 170.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.47 -34.12 58.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 123.781 0.832 . . . . 0.0 109.277 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -70.31 -30.24 67.17 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.432 2.293 . . . . 0.0 112.894 -169.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -82.86 -31.52 27.93 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.326 0.65 . . . . 0.0 110.115 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.459 HG22 ' CE2' ' A' ' 54' ' ' PHE . 6.9 mt -84.51 -15.21 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -48.43 81.21 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.879 1.672 . . . . 0.0 108.763 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.31 -46.64 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.158 0 C-N-CA 128.266 2.626 . . . . 0.0 109.95 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.67 -40.03 90.59 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.527 1.131 . . . . 0.0 112.927 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 50' ' ' ILE . 26.0 m-85 -74.47 -31.95 62.4 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 124.03 0.932 . . . . 0.0 111.11 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -71.71 -25.74 62.2 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 111.379 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.7 -44.59 66.61 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.716 1.206 . . . . 0.0 110.091 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 C--N 1.359 0.981 0 C-N-CA 124.59 1.156 . . . . 0.0 112.842 179.605 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.436 -1.132 0 CA-C-O 122.219 1.009 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.7 p -113.2 -176.88 3.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 169.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.37 61.9 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.369 0.668 . . . . 0.0 110.988 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.01 -27.05 61.55 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.955 1.702 . . . . 0.0 111.509 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -87.77 -45.64 10.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 123.653 0.781 . . . . 0.0 109.369 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.84 -40.58 93.35 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.937 1.695 . . . . 0.0 113.287 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -68.08 -29.24 68.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 124.039 0.935 . . . . 0.0 111.908 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -73.87 -35.01 64.69 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.548 1.539 . . . . 0.0 110.622 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.6 mt -74.73 -23.01 58.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 124.046 0.938 . . . . 0.0 111.77 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -82.15 -21.69 36.46 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.416 1.086 . . . . 0.0 109.536 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -30.59 44.69 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.144 0.978 . . . . 0.0 109.752 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -39.35 63.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 124.149 0.979 . . . . 0.0 109.263 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -69.11 -29.9 68.06 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 125.716 1.606 . . . . 0.0 110.55 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.59 -46.41 69.44 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.448 1.099 . . . . 0.0 110.817 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.9 m -76.88 -69.72 0.5 Allowed 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 124.068 0.947 . . . . 0.0 108.738 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.47 106.36 18.63 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.18 -59.08 2.9 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 123.895 0.878 . . . . 0.0 110.237 -170.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.45 71.05 3.15 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.01 138.28 58.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 128.275 2.63 . . . . 0.0 108.726 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.1 p -92.08 167.53 12.01 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.486 1.115 . . . . 0.0 108.71 -166.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -72.57 -21.65 61.11 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 125.48 1.512 . . . . 0.0 110.052 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.04 -44.26 14.3 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.914 1.286 . . . . 0.0 109.941 -173.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.6 mtp-105 -78.09 -24.11 47.69 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 123.902 0.881 . . . . 0.0 109.695 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -57.79 -20.87 38.58 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -79.19 -16.66 56.24 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 121.423 -0.798 . . . . 0.0 111.188 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 m -87.65 -27.87 22.2 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.79 -21.09 57.71 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 123.529 0.731 . . . . 0.0 109.439 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.21 -26.91 62.22 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.203 1.001 . . . . 0.0 110.764 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -86.53 -22.44 26.36 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.712 -0.618 . . . . 0.0 109.624 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.09 -68.43 0.58 Allowed 'General case' 0 CA--C 1.492 -1.254 0 C-N-CA 124.607 1.163 . . . . 0.0 112.438 -166.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -77.31 -27.21 52.82 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.178 1.391 . . . . 0.0 107.601 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.46 37.38 4.04 Favored Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.43 -158.16 0.65 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -110.64 -167.82 1.23 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -74.58 -45.95 41.9 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 m -56.03 -38.75 70.96 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 129.091 2.956 . . . . 0.0 115.231 -168.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -70.64 -41.51 72.06 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 124.392 1.077 . . . . 0.0 110.492 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 mt -85.6 -14.31 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 126.117 1.767 . . . . 0.0 108.398 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -70.91 -42.63 69.67 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 125.182 1.393 . . . . 0.0 107.963 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.93 -46.61 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 C-N-CA 127.182 2.193 . . . . 0.0 109.538 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -58.02 -46.16 85.74 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.146 1.378 . . . . 0.0 112.377 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -79.15 -24.87 43.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 123.027 0.531 . . . . 0.0 111.148 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.03 -24.66 63.31 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.622 1.101 . . . . 0.0 111.278 176.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -74.83 -56.03 5.2 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 124.077 0.951 . . . . 0.0 109.066 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.356 0.887 0 C-N-CA 124.998 1.319 . . . . 0.0 113.996 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 N--CA 1.437 -1.089 0 CA-C-O 121.451 0.643 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.0 p -115.16 -171.87 2.03 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 104.318 -2.475 . . . . 0.0 104.318 167.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.43 63.24 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 123.929 0.892 . . . . 0.0 110.905 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -79.0 -23.56 44.31 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 125.595 1.558 . . . . 0.0 111.46 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.62 -47.49 11.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.3 -25.73 62.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.063 1.745 . . . . 0.0 113.385 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -57.54 -52.57 64.87 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.502 1.521 . . . . 0.0 111.477 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -62.14 -47.29 85.22 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.932 1.693 . . . . 0.0 111.33 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -69.73 -33.08 71.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 124.207 1.003 . . . . 0.0 113.615 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.89 -24.1 28.64 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 124.308 1.043 . . . . 0.0 109.716 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.58 67.58 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 123.926 0.891 . . . . 0.0 109.967 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -90.55 -12.25 37.66 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -71.75 -33.29 68.54 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.013 0.824 . . . . 0.0 109.114 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.3 -42.0 90.3 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.865 1.666 . . . . 0.0 111.516 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.9 m -81.39 -72.18 0.44 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -101.03 131.25 47.01 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 125.635 1.574 . . . . 0.0 109.126 -167.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -95.58 -60.76 1.59 Allowed 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 167.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -79.55 100.36 7.73 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.844 0.857 . . . . 0.0 109.787 -165.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.46 161.34 26.14 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.222 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.4 p -101.69 176.8 5.1 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.35 -25.89 60.79 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -86.77 -35.33 19.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.701 1.201 . . . . 0.0 110.984 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -66.81 -47.5 71.85 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 124.573 1.149 . . . . 0.0 108.544 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -58.52 -36.07 73.27 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.023 1.729 . . . . 0.0 112.952 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.54 -27.31 68.36 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 126.072 1.749 . . . . 0.0 112.132 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -83.61 -34.39 25.13 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.25 -26.56 65.74 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 124.554 1.141 . . . . 0.0 109.698 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.92 63.68 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.717 1.607 . . . . 0.0 111.242 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -76.32 -30.47 57.7 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 121.6 -0.688 . . . . 0.0 110.226 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -68.27 -71.13 0.22 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 mt -77.12 -27.62 54.07 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 125.532 1.533 . . . . 0.0 108.617 -172.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.52 41.25 2.22 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -98.19 -169.33 1.79 Allowed 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -108.41 178.0 4.63 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -73.73 -36.97 65.25 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -65.66 -34.61 78.62 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.943 2.097 . . . . 0.0 111.706 -174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -66.79 -44.95 79.92 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.87 1.268 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.1 mt -86.22 -16.3 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 C-N-CA 124.54 1.136 . . . . 0.0 109.573 -171.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -67.66 -51.96 43.7 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 124.324 1.05 . . . . 0.0 108.976 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.61 -44.9 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.245 0 C-N-CA 128.088 2.555 . . . . 0.0 110.317 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -61.56 -43.99 97.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.177 1.391 . . . . 0.0 112.071 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.89 -34.56 71.69 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.642 0.655 . . . . 0.0 110.398 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.42 -24.36 63.82 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.039 0.935 . . . . 0.0 112.187 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.05 -44.92 52.52 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.937 1.295 . . . . 0.0 109.789 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--N 1.356 0.87 0 C-N-CA 124.806 1.242 . . . . 0.0 112.379 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.6 p -104.11 -179.19 3.88 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.27 68.81 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.484 1.113 . . . . 0.0 111.337 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.31 -29.97 60.21 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.45 1.5 . . . . 0.0 110.97 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -78.23 -52.1 9.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.497 1.119 . . . . 0.0 109.487 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -50.48 -47.27 57.22 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.623 1.969 . . . . 0.0 112.916 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -44.68 -59.54 2.44 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.79 2.436 . . . . 0.0 113.439 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HE ' HD21 ' A' ' 43' ' ' LEU . 66.9 ttp85 -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.557 1.543 . . . . 0.0 112.3 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.02 -30.81 71.41 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.397 1.079 . . . . 0.0 113.029 -175.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -74.91 -31.14 61.48 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.322 1.049 . . . . 0.0 110.323 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.13 32.24 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.123 0.969 . . . . 0.0 110.399 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -83.1 -36.87 24.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.192 0.997 . . . . 0.0 110.694 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -76.97 -18.87 57.94 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.106 0.962 . . . . 0.0 110.653 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -66.37 -41.29 89.68 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 109.921 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 m -76.68 -66.26 0.83 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 124.678 1.191 . . . . 0.0 108.459 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.54 91.22 8.72 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.987 1.715 . . . . 0.0 108.077 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -82.43 -48.15 11.43 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 124.594 1.158 . . . . 0.0 108.303 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -86.12 71.68 10.52 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.918 1.687 . . . . 0.0 106.673 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.79 135.44 34.11 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 128.015 2.526 . . . . 0.0 107.614 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.7 p -99.94 172.09 7.44 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 124.334 1.054 . . . . 0.0 108.639 -167.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -20.13 60.2 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.513 1.125 . . . . 0.0 111.216 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -83.5 -36.29 24.21 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.347 1.459 . . . . 0.0 108.777 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -70.8 -47.1 61.29 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.5 1.12 . . . . 0.0 109.066 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -57.31 -35.7 70.16 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.425 1.49 . . . . 0.0 113.681 -174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -85.57 -6.98 59.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 123.313 0.645 . . . . 0.0 110.951 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -97.87 -18.73 18.54 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.44 -23.33 43.21 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -26.89 61.38 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.496 1.118 . . . . 0.0 110.332 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -81.39 -26.57 35.34 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.715 -0.615 . . . . 0.0 110.048 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -81.51 -66.66 0.86 Allowed 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -163.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.445 HD21 ' HE ' ' A' ' 20' ' ' ARG . 63.6 mt -74.81 -27.8 60.45 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 124.904 1.282 . . . . 0.0 108.027 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.09 42.07 2.89 Favored Glycine 0 CA--C 1.49 -1.501 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.9 mt -101.32 -162.11 0.91 Allowed 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -113.36 -179.05 3.53 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 170.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.36 -40.68 64.19 Favored 'General case' 0 CA--C 1.494 -1.189 0 C-N-CA 123.77 0.828 . . . . 0.0 108.79 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -66.7 -34.57 78.15 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 127.21 2.204 . . . . 0.0 112.733 -166.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -70.51 -38.71 74.31 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 123.906 0.882 . . . . 0.0 111.22 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt -86.59 -19.84 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 123.949 0.899 . . . . 0.0 109.253 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -66.0 -42.43 89.74 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 124.478 1.111 . . . . 0.0 109.757 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.61 -47.8 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 C-N-CA 127.709 2.403 . . . . 0.0 109.891 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -61.62 -38.55 88.04 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.607 1.563 . . . . 0.0 112.698 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -73.58 -35.76 65.49 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.354 1.062 . . . . 0.0 109.869 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -78.93 -15.97 57.61 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.91 1.284 . . . . 0.0 112.319 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.65 -44.29 57.19 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.383 1.073 . . . . 0.0 108.172 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 mptt . . . . . 0 C--N 1.355 0.805 0 C-N-CA 124.674 1.19 . . . . 0.0 112.568 178.548 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.435 -1.216 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.3 p -108.36 179.59 4.16 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 168.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.49 71.5 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.133 0.973 . . . . 0.0 111.401 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -82.18 -24.3 35.05 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.774 1.229 . . . . 0.0 111.42 -174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.41 -43.56 27.1 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.57 -49.46 77.45 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 125.276 1.43 . . . . 0.0 110.802 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.02 -51.89 48.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 128.986 2.914 . . . . 0.0 113.366 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.36 -42.3 95.48 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 126.054 1.742 . . . . 0.0 111.307 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.04 -19.88 61.77 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -67.16 -30.59 70.61 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 119.15 0.886 . . . . 0.0 110.676 176.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -37.66 32.15 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 124.253 1.021 . . . . 0.0 109.351 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -69.68 -32.6 71.31 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.593 1.557 . . . . 0.0 110.95 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -58.76 -36.27 74.11 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 125.779 1.631 . . . . 0.0 111.995 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.42 -53.34 29.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.513 1.125 . . . . 0.0 111.551 -176.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.6 m -81.08 -66.91 0.83 Allowed 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 109.033 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.47 81.17 2.31 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 126.213 1.805 . . . . 0.0 107.741 -172.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -83.62 -50.15 8.49 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -88.74 78.82 7.6 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.679 1.592 . . . . 0.0 106.823 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.37 159.33 21.39 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 126.624 1.97 . . . . 0.0 110.768 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -108.19 170.43 8.01 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 173.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -73.8 -27.83 61.33 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.635 0.774 . . . . 0.0 109.371 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -79.38 -33.22 42.98 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.007 1.723 . . . . 0.0 110.729 -171.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -73.26 -50.39 22.54 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -60.0 -27.94 67.29 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -168.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -82.25 -11.39 58.69 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 123.945 0.898 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 t -102.19 -16.06 16.47 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -81.3 -27.22 35.14 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.12 -24.52 59.46 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.884 1.274 . . . . 0.0 109.996 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.98 -31.75 34.65 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.28 -69.7 0.51 Allowed 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 124.079 0.952 . . . . 0.0 113.221 -164.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.61 -31.75 67.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 125.488 1.515 . . . . 0.0 107.65 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.42 42.08 2.43 Favored Glycine 0 CA--C 1.489 -1.564 0 N-CA-C 106.869 -2.492 . . . . 0.0 106.869 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -97.09 -162.46 0.96 Allowed 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -116.45 -179.23 3.62 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 168.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.62 -36.86 62.94 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -60.47 -35.0 74.84 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 127.48 2.312 . . . . 0.0 112.656 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -67.14 -42.88 83.66 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.071 1.348 . . . . 0.0 111.121 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -82.7 -26.23 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.97 1.308 . . . . 0.0 109.587 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -63.56 -40.1 96.12 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.414 1.086 . . . . 0.0 110.63 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.3 mt -70.89 -49.28 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 126.087 1.755 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -58.59 -42.01 87.09 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.428 1.891 . . . . 0.0 112.7 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -73.21 -40.32 64.82 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 124.082 0.953 . . . . 0.0 111.099 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -73.13 -24.75 60.65 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.284 1.034 . . . . 0.0 112.074 -177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -75.6 -38.69 58.87 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.093 1.357 . . . . 0.0 109.064 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt . . . . . 0 N--CA 1.441 -0.902 0 C-N-CA 126.083 1.753 . . . . 0.0 115.213 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 . . . . . 0 N--CA 1.439 -0.987 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -100.32 178.96 4.6 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.82 70.13 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.843 0.857 . . . . 0.0 111.275 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -76.79 -25.24 53.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.186 1.395 . . . . 0.0 111.263 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.84 -53.49 7.04 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.698 0.799 . . . . 0.0 109.255 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.95 -52.86 47.33 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 126.609 1.964 . . . . 0.0 113.405 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.26 -33.14 73.04 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.869 1.268 . . . . 0.0 113.741 -171.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -73.75 -39.29 64.33 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.077 1.351 . . . . 0.0 110.645 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.43 -22.97 56.92 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.109 0.964 . . . . 0.0 111.97 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -84.58 -28.11 26.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 125.038 1.335 . . . . 0.0 109.143 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.37 -16.59 54.15 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.2 1.0 . . . . 0.0 109.841 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -84.84 -46.14 11.63 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 171.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.53 -38.28 63.63 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.949 2.1 . . . . 0.0 113.469 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.91 -54.88 28.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.042 1.337 . . . . 0.0 114.0 -172.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.5 m -91.15 -54.39 3.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -105.44 104.07 13.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.807 1.243 . . . . 0.0 109.22 -166.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -93.71 -73.77 0.56 Allowed 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -66.99 103.78 1.23 Allowed 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 124.744 1.218 . . . . 0.0 111.995 -162.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.27 157.21 37.5 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 125.782 1.633 . . . . 0.0 109.465 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.3 p -97.62 175.66 6.12 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 168.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.98 -20.95 60.18 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.908 -0.495 . . . . 0.0 110.21 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -91.02 -35.83 14.42 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.934 1.294 . . . . 0.0 110.556 -173.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.29 -33.97 32.27 Favored 'General case' 0 CA--C 1.491 -1.309 0 C-N-CA 124.262 1.025 . . . . 0.0 109.448 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.67 -35.71 76.91 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 125.959 1.704 . . . . 0.0 110.956 170.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.28 -23.36 61.18 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.97 1.308 . . . . 0.0 111.19 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -82.73 -27.73 30.93 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.88 -24.37 55.67 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.1 62.37 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.307 1.443 . . . . 0.0 110.478 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -84.17 -19.56 33.9 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.336 0.654 . . . . 0.0 109.814 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.55 -71.07 0.41 Allowed 'General case' 0 CA--C 1.494 -1.191 0 C-N-CA 124.51 1.124 . . . . 0.0 112.351 -169.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.79 -27.8 44.55 Favored 'General case' 0 CA--C 1.493 -1.218 0 C-N-CA 125.809 1.644 . . . . 0.0 108.087 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.71 38.45 3.43 Favored Glycine 0 CA--C 1.49 -1.52 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HB2' HD11 ' A' ' 50' ' ' ILE . 19.6 mt -97.45 -166.92 1.45 Allowed 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -105.95 179.45 4.26 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.24 -40.98 62.03 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-O 121.953 0.882 . . . . 0.0 109.164 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 t -67.54 -39.75 85.0 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 127.164 2.185 . . . . 0.0 111.362 -167.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.63 -41.19 92.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 124.973 1.309 . . . . 0.0 111.481 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.415 HD11 ' HB2' ' A' ' 45' ' ' LEU . 13.9 mt -85.94 -22.62 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 124.029 0.932 . . . . 0.0 109.564 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.53 -47.98 74.06 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.247 1.019 . . . . 0.0 109.55 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.66 -45.53 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.278 0 C-N-CA 128.015 2.526 . . . . 0.0 110.182 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.19 -45.43 91.09 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.459 1.504 . . . . 0.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.11 -39.06 82.9 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.987 0.915 . . . . 0.0 109.967 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.88 -23.19 62.25 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.627 1.171 . . . . 0.0 112.794 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -75.63 -39.32 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 109.666 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 CA--C 1.503 -0.836 0 C-N-CA 125.44 1.496 . . . . 0.0 112.15 178.684 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 N--CA 1.438 -1.04 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.4 p -111.66 -176.11 2.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.65 67.25 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.624 0.769 . . . . 0.0 110.592 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -25.5 54.05 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.894 1.678 . . . . 0.0 111.713 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -86.58 -47.89 8.82 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -175.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -51.65 -50.29 60.63 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.141 1.776 . . . . 0.0 113.341 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -62.67 -36.4 82.75 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.871 1.269 . . . . 0.0 113.787 -170.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -74.65 -36.76 62.85 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 123.995 0.918 . . . . 0.0 110.901 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -70.95 -21.29 62.35 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.136 0.974 . . . . 0.0 112.619 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -79.54 -19.51 49.36 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.383 1.073 . . . . 0.0 110.326 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.98 -30.52 35.05 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.868 0.867 . . . . 0.0 109.581 172.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.14 -33.06 63.41 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.07 0.948 . . . . 0.0 109.976 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.39 -44.09 79.75 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.775 1.63 . . . . 0.0 109.773 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.36 -45.46 94.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.164 1.786 . . . . 0.0 112.252 -171.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -77.46 -70.15 0.49 Allowed 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -110.62 130.63 55.52 Favored 'General case' 0 N--CA 1.427 -1.608 0 C-N-CA 124.643 1.177 . . . . 0.0 109.062 -169.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -107.08 1.13 24.02 Favored 'General case' 0 CA--C 1.5 -0.949 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 161.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.14 75.28 10.35 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 126.393 1.877 . . . . 0.0 106.589 167.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD22 ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -97.42 120.26 37.46 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -172.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -100.45 174.17 6.23 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.02 -22.95 59.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 123.488 0.715 . . . . 0.0 110.39 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -86.39 -33.89 20.36 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 124.898 1.279 . . . . 0.0 109.825 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HE ' HD22 ' A' ' 31' ' ' LEU . 64.2 mtp85 -71.86 -47.26 54.22 Favored 'General case' 0 CA--C 1.49 -1.337 0 C-N-CA 124.626 1.17 . . . . 0.0 108.826 173.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -56.56 -38.8 72.45 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.533 1.533 . . . . 0.0 113.31 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.81 -9.52 58.08 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 122.898 0.479 . . . . 0.0 110.924 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -94.1 -20.93 19.45 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.11 -30.39 49.46 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.58 -25.2 56.83 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 124.454 1.102 . . . . 0.0 110.976 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -78.38 -33.89 48.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -84.66 -62.85 1.45 Allowed 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -160.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -74.57 -27.34 60.45 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 124.716 1.206 . . . . 0.0 108.219 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.77 44.39 3.14 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.02 -167.9 1.77 Allowed 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -114.31 -178.51 3.39 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 163.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.44 -40.67 64.02 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.216 1.006 . . . . 0.0 109.725 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -65.36 -29.35 70.06 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 127.422 2.289 . . . . 0.0 112.781 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -72.57 -34.13 67.25 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.485 1.114 . . . . 0.0 110.975 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mt -85.34 -21.83 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 123.516 0.727 . . . . 0.0 109.633 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.9 -37.85 88.91 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 124.358 1.063 . . . . 0.0 110.52 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.02 -48.3 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.273 0 C-N-CA 126.614 1.966 . . . . 0.0 108.81 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -59.5 -39.75 84.81 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.76 2.024 . . . . 0.0 113.791 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -73.98 -36.93 64.59 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 123.77 0.828 . . . . 0.0 110.078 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -77.18 -15.63 59.43 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.367 1.067 . . . . 0.0 111.968 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -74.1 -39.12 63.61 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.836 1.255 . . . . 0.0 109.038 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.354 0.793 0 C-N-CA 124.279 1.031 . . . . 0.0 111.187 175.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 . . . . . 0 N--CA 1.443 -0.778 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.0 p -90.53 178.57 6.07 Favored 'General case' 0 C--N 1.359 0.981 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -35.41 70.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.225 0.61 . . . . 0.0 110.999 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -83.84 -25.29 30.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 124.313 1.045 . . . . 0.0 111.62 -175.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.49 -46.19 64.22 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.991 0.916 . . . . 0.0 109.138 176.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.07 -48.12 79.35 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.72 1.608 . . . . 0.0 110.973 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.6 -48.57 69.14 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.735 2.414 . . . . 0.0 113.492 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -63.85 -40.74 97.3 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 111.165 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.03 -21.5 59.93 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 118.569 -0.729 . . . . 0.0 112.611 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -70.63 -30.0 66.52 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.23 0.923 . . . . 0.0 109.555 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.11 45.26 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.209 1.004 . . . . 0.0 109.194 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -87.6 2.87 49.69 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.16 0.984 . . . . 0.0 110.66 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.88 -45.44 14.22 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -68.27 -44.99 74.32 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 125.186 1.394 . . . . 0.0 110.416 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 m -80.02 -68.7 0.65 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.847 0.859 . . . . 0.0 109.04 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -101.76 70.38 1.25 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 125.241 1.416 . . . . 0.0 108.968 -168.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -63.69 1.07 Allowed 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 126.157 1.783 . . . . 0.0 110.975 -174.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -92.06 76.94 5.39 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.33 149.02 7.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 127.275 2.23 . . . . 0.0 111.287 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.38 173.93 7.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.62 -19.88 60.74 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.645 0.778 . . . . 0.0 110.305 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -91.3 -43.0 10.06 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.988 0.915 . . . . 0.0 109.587 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -63.88 -46.1 86.44 Favored 'General case' 0 CA--C 1.493 -1.248 0 C-N-CA 124.759 1.223 . . . . 0.0 110.751 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttp-105 -63.36 -38.67 92.06 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 124.611 1.164 . . . . 0.0 111.064 -176.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.22 -28.06 69.78 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 126.464 1.905 . . . . 0.0 112.889 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -81.28 -33.28 32.76 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.102 0.561 . . . . 0.0 109.908 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.73 -27.12 63.73 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.63 63.14 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 126.218 1.807 . . . . 0.0 111.554 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.01 -30.41 58.49 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 121.45 -0.781 . . . . 0.0 110.045 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -79.65 -68.84 0.63 Allowed 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 122.932 0.493 . . . . 0.0 112.065 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.33 -27.27 68.91 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 125.913 1.685 . . . . 0.0 109.956 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.48 36.36 5.92 Favored Glycine 0 CA--C 1.489 -1.566 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 173.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.76 -167.7 1.6 Allowed 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -112.34 179.64 3.93 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.412 -2.44 . . . . 0.0 104.412 170.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.59 -37.25 68.2 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -67.8 -32.98 73.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.942 2.097 . . . . 0.0 112.123 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -67.95 -44.72 76.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.742 1.217 . . . . 0.0 110.722 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.0 mt -81.33 -23.8 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 124.691 1.197 . . . . 0.0 109.511 -174.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -51.18 67.19 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.516 1.126 . . . . 0.0 108.945 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -43.78 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 C-N-CA 127.794 2.437 . . . . 0.0 110.784 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.23 -37.96 84.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.724 1.609 . . . . 0.0 112.307 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.86 -27.58 60.32 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.367 0.667 . . . . 0.0 110.608 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -79.69 -25.04 41.33 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.178 0.991 . . . . 0.0 111.347 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.32 -36.58 63.71 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.282 1.433 . . . . 0.0 109.695 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt . . . . . 0 C--N 1.352 0.71 0 C-N-CA 125.308 1.443 . . . . 0.0 112.419 178.341 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 . . . . . 0 CA--C 1.502 -0.895 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -104.21 -178.43 3.66 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 175.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.15 67.76 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 124.13 0.972 . . . . 0.0 111.607 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.13 -29.57 48.89 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.955 1.302 . . . . 0.0 110.757 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.6 -44.4 24.12 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 123.907 0.883 . . . . 0.0 109.673 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.77 -45.95 85.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.598 1.559 . . . . 0.0 111.776 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -51.57 -51.18 57.57 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.63 1.972 . . . . 0.0 113.118 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -45.87 92.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 126.67 1.988 . . . . 0.0 111.407 -178.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 mt -75.43 -28.25 59.28 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -82.05 -22.28 36.48 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 123.991 0.916 . . . . 0.0 109.741 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.28 -36.92 63.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.072 0.949 . . . . 0.0 110.056 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -91.49 -9.17 45.45 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -90.68 22.83 3.33 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-O 122.761 1.267 . . . . 0.0 109.718 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -89.64 -56.94 3.05 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -90.82 -63.74 1.23 Allowed 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -87.12 114.92 24.15 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.847 1.259 . . . . 0.0 110.643 -165.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -95.71 -50.68 4.83 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 170.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.61 91.83 7.02 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 108.991 -167.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.04 156.62 21.02 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 114.809 -1.087 . . . . 0.0 108.107 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -106.79 -176.11 2.99 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.95 -17.56 61.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.798 0.839 . . . . 0.0 110.366 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -93.25 -48.51 6.41 Favored 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 124.503 1.121 . . . . 0.0 110.128 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -62.68 -44.32 96.56 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 125.481 1.512 . . . . 0.0 111.23 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -65.72 -39.7 91.46 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.111 0.964 . . . . 0.0 110.729 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.41 -23.18 66.26 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 126.325 1.85 . . . . 0.0 112.974 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -78.77 -40.26 33.69 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 123.119 0.568 . . . . 0.0 109.78 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -32.91 73.81 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 123.882 0.873 . . . . 0.0 108.881 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.35 62.48 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.748 2.019 . . . . 0.0 111.718 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -72.78 -33.85 66.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 121.636 -0.665 . . . . 0.0 109.494 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.28 -58.39 3.31 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.06 -31.0 64.12 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 125.333 1.453 . . . . 0.0 109.432 -173.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.24 34.34 5.91 Favored Glycine 0 CA--C 1.49 -1.48 0 N-CA-C 106.787 -2.525 . . . . 0.0 106.787 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -90.93 -176.76 4.75 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -108.82 179.79 4.08 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.04 -36.96 67.02 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 124.41 1.084 . . . . 0.0 109.178 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -72.6 -24.48 61.09 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 126.747 2.019 . . . . 0.0 111.956 -173.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -73.94 -47.48 37.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.3 mt -80.48 -18.23 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 C-N-CA 124.76 1.224 . . . . 0.0 109.537 -174.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -61.32 -54.56 42.34 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.589 1.556 . . . . 0.0 109.829 174.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.46 -45.27 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 C-N-CA 127.531 2.333 . . . . 0.0 110.249 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -58.83 -39.85 82.46 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.366 1.466 . . . . 0.0 112.808 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -67.49 -38.88 85.01 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 118.889 0.768 . . . . 0.0 110.612 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -73.36 -22.39 60.29 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.375 1.07 . . . . 0.0 112.156 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -76.11 -41.62 49.64 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.561 1.545 . . . . 0.0 110.217 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt . . . . . 0 CA--C 1.502 -0.873 0 C-N-CA 125.002 1.321 . . . . 0.0 111.593 179.571 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.5 -0.979 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 p -110.43 -178.44 3.5 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 169.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.88 69.02 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 124.066 0.946 . . . . 0.0 111.326 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -75.97 -25.2 55.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 125.451 1.5 . . . . 0.0 111.699 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -86.34 -42.48 13.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 123.422 0.689 . . . . 0.0 109.475 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.26 -49.88 75.57 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.29 1.436 . . . . 0.0 112.49 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.7 -33.47 76.03 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 124.92 1.288 . . . . 0.0 113.346 -171.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -75.69 -33.26 60.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.151 0.98 . . . . 0.0 110.688 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.5 mt -73.59 -20.44 60.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 123.766 0.826 . . . . 0.0 111.891 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.9 -29.53 66.75 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.823 0.738 . . . . 0.0 110.181 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.28 -30.9 33.89 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.258 1.023 . . . . 0.0 109.957 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.11 -5.7 56.24 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.112 0.965 . . . . 0.0 110.425 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.58 -40.73 95.81 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.932 1.693 . . . . 0.0 110.911 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.8 m -74.91 -69.06 0.49 Allowed 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 124.348 1.059 . . . . 0.0 108.192 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -106.45 106.09 16.45 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.065 1.346 . . . . 0.0 107.925 -174.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -93.76 -45.47 7.66 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.9 m-85 -83.91 78.6 9.7 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tp -85.45 146.36 26.99 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 125.638 1.575 . . . . 0.0 108.402 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.3 p -98.5 172.66 7.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.48 -22.05 60.26 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.418 0.687 . . . . 0.0 110.462 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -93.04 -24.24 18.39 Favored 'General case' 0 C--N 1.359 0.978 0 C-N-CA 124.783 1.233 . . . . 0.0 111.542 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -59.87 -36.42 76.87 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 126.178 1.791 . . . . 0.0 111.658 171.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -66.05 -27.57 68.19 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 125.648 1.579 . . . . 0.0 111.131 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.3 m -83.11 -29.71 28.5 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.9 -26.62 59.77 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.49 60.32 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.595 1.558 . . . . 0.0 111.142 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -84.29 -21.45 31.04 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 121.597 -0.69 . . . . 0.0 109.787 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -77.73 -68.39 0.63 Allowed 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.002 0.921 . . . . 0.0 112.78 -167.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -76.75 -27.05 55.21 Favored 'General case' 0 CA--C 1.494 -1.175 0 C-N-CA 125.659 1.584 . . . . 0.0 108.041 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.13 43.24 2.62 Favored Glycine 0 CA--C 1.488 -1.599 0 N-CA-C 107.357 -2.297 . . . . 0.0 107.357 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -97.96 -167.58 1.54 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.56 173.1 6.45 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.76 -33.41 62.3 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.406 0.682 . . . . 0.0 109.545 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -72.52 -23.65 61.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.541 1.936 . . . . 0.0 112.279 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -67.64 -47.87 68.32 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.534 1.134 . . . . 0.0 109.447 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mt -84.12 -16.52 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 126.223 1.809 . . . . 0.0 109.261 -168.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -66.06 -51.25 59.88 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 125.034 1.333 . . . . 0.0 109.718 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.91 -45.53 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 C-N-CA 127.818 2.447 . . . . 0.0 109.922 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -60.63 -40.55 92.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.411 1.485 . . . . 0.0 112.717 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.57 -36.31 65.57 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 123.359 0.664 . . . . 0.0 110.516 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -72.92 -21.4 60.9 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 118.818 0.735 . . . . 0.0 111.774 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -72.14 -44.72 62.68 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.685 1.194 . . . . 0.0 109.849 172.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 C--N 1.353 0.732 0 C-N-CA 124.536 1.134 . . . . 0.0 112.957 -177.718 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 . . . . . 0 CA--C 1.5 -0.953 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -105.23 -175.79 2.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.9 68.26 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 124.282 1.033 . . . . 0.0 111.3 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -79.39 -26.73 41.9 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.073 1.349 . . . . 0.0 111.127 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -79.7 -42.57 24.39 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 123.614 0.766 . . . . 0.0 109.617 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.46 -41.87 90.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.254 1.422 . . . . 0.0 111.792 174.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.17 -51.01 65.7 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.461 1.904 . . . . 0.0 112.502 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.83 -49.27 77.22 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 126.8 2.04 . . . . 0.0 111.619 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.17 -20.68 47.84 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -78.79 -20.12 50.55 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.77 0.714 . . . . 0.0 109.918 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -32.76 39.22 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 109.038 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -75.32 -36.96 61.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.631 1.172 . . . . 0.0 110.361 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -67.2 -40.21 86.43 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.481 1.912 . . . . 0.0 109.864 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.49 -46.0 88.12 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 111.292 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -76.1 -70.26 0.45 Allowed 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -109.66 100.13 9.2 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.585 1.554 . . . . 0.0 107.862 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -76.51 -38.28 55.44 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -82.9 73.96 9.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 126.682 1.993 . . . . 0.0 106.789 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.64 133.65 34.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 129.291 3.036 . . . . 0.0 104.23 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -89.36 150.95 22.33 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.4 -7.33 51.24 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.15 0.58 . . . . 0.0 111.746 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -93.69 -39.81 10.58 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 124.735 1.214 . . . . 0.0 109.888 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -87.73 -18.4 29.54 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 125.567 1.547 . . . . 0.0 108.572 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -57.27 -30.72 64.92 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 124.731 1.212 . . . . 0.0 112.251 161.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -76.47 -15.4 59.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 123.296 0.638 . . . . 0.0 110.713 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -81.4 -34.29 31.71 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.102 0.961 . . . . 0.0 108.646 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.46 61.74 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 125.774 1.629 . . . . 0.0 110.91 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.8 -26.96 49.98 Favored 'General case' 0 C--N 1.361 1.095 0 O-C-N 121.791 -0.568 . . . . 0.0 110.409 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -77.16 -63.89 1.26 Allowed 'General case' 0 CA--C 1.492 -1.25 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -172.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.44 -29.08 59.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 125.581 1.552 . . . . 0.0 108.914 -172.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.17 34.16 5.99 Favored Glycine 0 CA--C 1.488 -1.61 0 N-CA-C 106.466 -2.653 . . . . 0.0 106.466 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -89.94 -173.77 4.0 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -111.24 -173.51 2.26 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 174.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.93 -45.03 52.97 Favored 'General case' 0 CA--C 1.494 -1.192 0 C-N-CA 123.958 0.903 . . . . 0.0 108.705 172.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -69.51 -30.38 68.22 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 126.747 2.019 . . . . 0.0 112.225 -165.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -68.32 -42.48 79.3 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.821 1.248 . . . . 0.0 110.436 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.6 mt -80.86 -28.82 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 C-N-CA 125.059 1.344 . . . . 0.0 109.775 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -62.65 -44.72 95.56 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.715 1.206 . . . . 0.0 111.309 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.21 -47.0 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 C-N-CA 126.423 1.889 . . . . 0.0 109.488 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -60.16 -36.15 76.9 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 125.724 1.609 . . . . 0.0 112.813 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.86 -43.39 75.49 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 119.494 1.043 . . . . 0.0 110.283 -177.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.05 -24.11 60.66 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.922 0.889 . . . . 0.0 111.98 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.12 -43.15 68.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.868 1.267 . . . . 0.0 110.071 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt . . . . . 0 C--N 1.355 0.808 0 C-N-CA 124.887 1.275 . . . . 0.0 112.826 -177.52 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.439 -0.993 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -111.72 -174.07 2.38 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 171.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.74 68.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 123.775 0.83 . . . . 0.0 110.71 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -77.18 -27.43 53.63 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.526 1.53 . . . . 0.0 111.605 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.9 -42.83 17.25 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.64 -50.13 72.96 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.403 1.481 . . . . 0.0 111.119 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -46.24 -55.3 7.37 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 128.027 2.531 . . . . 0.0 113.554 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -48.95 70.21 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 127.714 2.406 . . . . 0.0 112.011 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.2 mt -76.34 -20.94 56.74 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.033 0.933 . . . . 0.0 113.311 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -84.3 -22.18 30.76 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 124.836 1.254 . . . . 0.0 109.658 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.68 63.48 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.86 -24.65 44.2 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.611 0.764 . . . . 0.0 111.721 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.67 -35.95 79.81 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.96 1.255 . . . . 0.0 109.718 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -71.91 -50.76 26.38 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.615 1.166 . . . . 0.0 111.094 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -81.37 -67.21 0.8 Allowed 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 123.098 0.559 . . . . 0.0 109.657 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -113.83 79.7 1.28 Allowed 'General case' 0 N--CA 1.432 -1.341 0 C-N-CA 125.729 1.611 . . . . 0.0 107.982 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -50.02 71.19 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.148 1.379 . . . . 0.0 109.562 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -79.58 92.89 5.37 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 125.76 1.624 . . . . 0.0 108.504 -169.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 mt -78.7 154.35 30.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.448 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.7 p -104.5 174.61 5.8 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 169.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.76 -23.0 59.67 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 118.186 0.448 . . . . 0.0 109.806 173.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -77.92 -45.45 24.0 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.34 1.456 . . . . 0.0 109.524 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.72 -47.37 81.38 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.84 1.256 . . . . 0.0 109.693 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.09 -34.11 75.69 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 125.339 1.456 . . . . 0.0 113.615 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.54 -4.87 58.97 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 122.332 -0.23 . . . . 0.0 110.72 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -85.57 -29.76 23.88 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -74.71 -24.48 58.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.284 1.033 . . . . 0.0 108.477 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.15 61.22 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.472 1.109 . . . . 0.0 110.93 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -76.26 -38.26 56.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.79 -69.2 0.38 Allowed 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.68 -29.0 62.05 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 125.362 1.465 . . . . 0.0 108.625 -173.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.95 33.01 4.18 Favored Glycine 0 CA--C 1.489 -1.572 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.97 -162.14 0.91 Allowed 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.32 -169.86 1.88 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -74.22 -44.45 53.13 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 169.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -59.49 -36.95 77.02 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 127.776 2.431 . . . . 0.0 113.746 -169.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -66.67 -39.03 87.99 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.184 1.394 . . . . 0.0 111.097 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mt -88.19 -19.72 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 C-N-CA 125.345 1.458 . . . . 0.0 109.86 -171.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.79 -45.63 81.69 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 120.972 -1.08 . . . . 0.0 109.209 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.85 -46.55 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 C-N-CA 127.071 2.148 . . . . 0.0 109.734 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -62.27 -41.5 98.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.387 1.475 . . . . 0.0 112.899 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.3 -25.96 59.9 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.632 0.651 . . . . 0.0 110.905 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.76 -28.52 44.83 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 111.299 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -72.0 -39.96 68.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.445 1.498 . . . . 0.0 110.591 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt . . . . . 0 CA--C 1.502 -0.886 0 C-N-CA 125.889 1.676 . . . . 0.0 114.016 -175.484 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.436 -1.143 0 CA-C-O 121.71 0.766 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.8 p -115.72 -175.39 2.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 171.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.3 -27.92 63.75 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 123.935 0.894 . . . . 0.0 110.583 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.06 -25.42 59.82 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.881 1.672 . . . . 0.0 111.694 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -84.21 -49.7 8.57 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.96 -42.74 80.67 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.496 1.118 . . . . 0.0 113.197 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -68.1 -43.96 77.3 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.305 1.442 . . . . 0.0 109.937 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.91 -24.26 61.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 125.277 1.431 . . . . 0.0 112.016 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -81.31 -22.29 38.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.412 1.485 . . . . 0.0 110.234 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.33 33.13 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.526 0.73 . . . . 0.0 109.273 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -72.04 -34.4 68.76 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.503 1.121 . . . . 0.0 110.355 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.97 -31.72 7.91 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.133 2.573 . . . . 0.0 113.887 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -65.79 -59.73 3.6 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 124.285 1.034 . . . . 0.0 111.846 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.1 m -84.38 -65.98 0.95 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -105.22 97.12 7.01 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 126.077 1.751 . . . . 0.0 107.758 -170.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -92.25 -71.51 0.64 Allowed 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -91.82 84.76 5.44 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 173.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.562 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -58.86 178.42 0.12 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.296 2.238 . . . . 0.0 110.954 169.804 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.5 p -82.92 175.41 10.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 125.199 1.4 . . . . 0.0 107.86 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -73.74 -17.89 61.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.592 0.757 . . . . 0.0 110.524 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -94.57 -36.0 12.0 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 111.103 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -84.11 -33.7 24.28 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 124.103 0.961 . . . . 0.0 109.813 -174.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB2' HD23 ' A' ' 31' ' ' LEU . 54.9 ttp180 -63.85 -38.79 92.39 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.49 1.116 . . . . 0.0 109.159 174.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.64 -25.6 66.66 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 126.261 1.824 . . . . 0.0 111.773 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -80.66 -28.72 36.77 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 122.145 -0.347 . . . . 0.0 110.574 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -73.55 -29.55 62.51 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.99 -24.84 59.66 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 125.746 1.618 . . . . 0.0 111.8 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -79.68 -31.89 41.39 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 121.677 -0.639 . . . . 0.0 109.844 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.54 -58.26 2.42 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -165.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 HD12 ' A' ' 45' ' ' LEU . 72.8 mt -68.5 -31.83 71.38 Favored 'General case' 0 CA--C 1.498 -1.031 0 C-N-CA 124.268 1.027 . . . . 0.0 108.525 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 40.98 4.07 Favored Glycine 0 CA--C 1.491 -1.437 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.41 HD12 HD12 ' A' ' 43' ' ' LEU . 21.2 mt -93.46 -170.7 2.43 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -118.68 169.61 9.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 103.967 -2.605 . . . . 0.0 103.967 168.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.12 -30.93 65.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.869 0.868 . . . . 0.0 110.231 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 t -65.84 -39.24 90.62 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.8 2.04 . . . . 0.0 111.483 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.5 -32.32 66.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.133 0.973 . . . . 0.0 111.713 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -83.79 -28.66 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.325 1.05 . . . . 0.0 109.166 -174.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.01 -47.95 83.73 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.606 1.562 . . . . 0.0 109.744 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -46.14 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 C-N-CA 128.107 2.563 . . . . 0.0 110.751 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -58.08 -46.19 85.89 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.442 1.897 . . . . 0.0 113.06 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -76.65 -25.45 53.76 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.748 0.819 . . . . 0.0 110.739 -176.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -83.59 -19.07 36.19 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 124.726 1.21 . . . . 0.0 111.699 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -77.18 -40.77 44.09 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 124.895 1.278 . . . . 0.0 108.322 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 C--N 1.352 0.698 0 C-N-CA 124.413 1.085 . . . . 0.0 112.026 176.53 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.2 p -100.18 179.78 4.37 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.8 70.18 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 123.999 0.919 . . . . 0.0 111.274 -176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.89 -24.33 52.55 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.202 1.401 . . . . 0.0 111.409 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -80.42 -51.15 9.16 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.064 0.946 . . . . 0.0 109.571 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.37 -50.69 66.91 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 126.637 1.975 . . . . 0.0 113.014 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.52 -28.89 68.91 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.592 1.157 . . . . 0.0 113.182 -172.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -71.86 -35.94 69.97 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.359 1.464 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.0 mt -75.78 -28.19 58.31 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 123.925 0.89 . . . . 0.0 111.441 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -72.88 -29.16 62.95 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 123.728 0.811 . . . . 0.0 110.106 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.35 58.26 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.78 1.232 . . . . 0.0 110.13 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.79 -40.89 63.09 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.06 1.344 . . . . 0.0 109.782 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.8 -26.6 64.26 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.003 2.521 . . . . 0.0 112.493 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -58.47 -51.42 69.91 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.976 1.31 . . . . 0.0 112.246 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 m -86.37 -67.93 0.78 Allowed 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -115.36 115.68 27.0 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 125.351 1.461 . . . . 0.0 108.521 -167.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -86.3 -46.01 10.71 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -73.56 97.9 2.71 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 126.105 1.762 . . . . 0.0 109.72 -162.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.509 HD23 HH21 ' A' ' 35' ' ' ARG . 69.6 mt -75.87 149.3 37.83 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.081 177.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -101.59 -177.4 3.42 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.43 -22.33 61.11 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.605 0.762 . . . . 0.0 109.29 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -91.01 -48.37 7.03 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.033 0.933 . . . . 0.0 110.613 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.509 HH21 HD23 ' A' ' 31' ' ' LEU . 39.3 mtp85 -61.45 -46.08 91.57 Favored 'General case' 0 CA--C 1.494 -1.206 0 C-N-CA 125.402 1.481 . . . . 0.0 111.173 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -64.92 -39.83 94.12 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.214 1.406 . . . . 0.0 110.992 -174.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -66.5 -26.7 67.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 125.842 1.657 . . . . 0.0 111.959 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -83.02 -25.85 31.79 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.689 0.396 . . . . 0.0 110.089 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.86 -22.07 58.89 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 123.682 0.793 . . . . 0.0 109.025 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.13 65.34 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.469 1.108 . . . . 0.0 111.365 176.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -86.0 -20.39 28.96 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 121.483 -0.761 . . . . 0.0 109.506 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -76.09 -68.6 0.57 Allowed 'General case' 0 CA--C 1.493 -1.242 0 C-N-CA 124.009 0.924 . . . . 0.0 112.262 -167.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.1 mt -79.12 -27.87 42.9 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 125.454 1.501 . . . . 0.0 107.55 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.07 37.89 3.49 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 106.941 -2.464 . . . . 0.0 106.941 174.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.44 -156.75 0.58 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -117.41 -172.08 2.16 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 171.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.22 -43.64 56.32 Favored 'General case' 0 CA--C 1.496 -1.131 0 C-N-CA 124.383 1.073 . . . . 0.0 109.626 173.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -67.64 -33.81 75.7 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.092 2.157 . . . . 0.0 112.724 -166.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -72.19 -34.78 68.66 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.135 0.974 . . . . 0.0 111.343 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.05 -20.16 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 C-N-CA 125.005 1.322 . . . . 0.0 108.694 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -66.96 -43.64 82.59 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.855 1.262 . . . . 0.0 109.499 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.17 -45.1 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 128.291 2.636 . . . . 0.0 110.282 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.06 -40.09 88.26 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 125.9 1.68 . . . . 0.0 112.252 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.45 -25.25 50.44 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.357 0.663 . . . . 0.0 111.169 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.82 -18.08 38.86 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.273 1.029 . . . . 0.0 111.059 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -78.2 -37.3 45.91 Favored 'General case' 0 CA--C 1.503 -0.828 0 C-N-CA 124.847 1.259 . . . . 0.0 108.858 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? . . . . . 0 N--CA 1.445 -0.705 0 C-N-CA 125.627 1.571 . . . . 0.0 111.642 177.207 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 CA--C 1.495 -1.159 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -101.29 -179.0 3.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 175.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.02 70.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 123.296 0.638 . . . . 0.0 111.166 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -79.05 -25.25 43.17 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 125.201 1.401 . . . . 0.0 111.724 -176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.17 -44.12 18.34 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -55.17 -53.93 49.71 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.686 1.595 . . . . 0.0 112.65 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.72 -29.51 69.52 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.191 1.397 . . . . 0.0 113.321 -171.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -66.04 -41.28 91.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.177 1.791 . . . . 0.0 110.102 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.08 -21.09 54.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 112.429 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.09 -32.71 69.4 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.95 -25.09 37.66 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.778 1.231 . . . . 0.0 110.631 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -79.36 -43.94 22.5 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.53 31.24 1.37 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.605 1.162 . . . . 0.0 110.903 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -92.66 -62.07 1.47 Allowed 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.254 1.821 . . . . 0.0 106.561 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -86.39 -59.67 2.21 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -83.2 110.26 17.91 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.025 1.33 . . . . 0.0 109.912 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -97.01 -23.09 16.44 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 168.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -85.08 65.48 9.26 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 126.75 2.02 . . . . 0.0 107.831 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HG ' ' HE ' ' A' ' 35' ' ' ARG . 5.0 tt -100.12 129.43 46.15 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.4 p -94.43 155.94 16.72 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -170.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.82 -11.19 60.3 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.779 1.232 . . . . 0.0 111.094 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.47 -48.15 10.62 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.549 ' HE ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -82.79 -22.25 34.3 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.926 -0.484 . . . . 0.0 110.86 -176.217 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.561 HH11 ' HA ' ' A' ' 51' ' ' LYS . 6.6 ttm180 -53.31 -23.25 8.74 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.13 1.372 . . . . 0.0 113.902 167.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -88.29 -9.51 52.61 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 121.852 -0.53 . . . . 0.0 109.913 -174.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 t -97.4 -22.94 16.32 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.85 -28.06 63.3 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 170.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.69 -28.49 62.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.57 1.148 . . . . 0.0 111.628 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.82 -32.87 62.08 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 121.335 -0.853 . . . . 0.0 110.654 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -85.56 -50.03 7.56 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -164.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -72.91 -29.1 62.87 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 35.57 6.56 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.4 mt -101.92 -165.0 1.14 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -106.1 -178.7 3.73 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.72 -39.88 66.59 Favored 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 123.857 0.863 . . . . 0.0 109.064 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.914 2.486 . . . . 0.0 112.837 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -68.59 -46.31 69.7 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.176 0.99 . . . . 0.0 110.289 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 mt -81.43 -18.12 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 109.362 -174.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.561 ' HA ' HH11 ' A' ' 36' ' ' ARG . 78.8 tttt -66.1 -47.77 73.12 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.659 1.184 . . . . 0.0 109.849 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -59.84 -45.05 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 128.098 2.559 . . . . 0.0 110.006 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -59.95 -42.05 93.22 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.63 1.572 . . . . 0.0 112.501 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -76.13 -29.9 57.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 123.444 0.698 . . . . 0.0 110.812 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.05 0.94 . . . . 0.0 111.505 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.97 -43.44 58.12 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 109.098 174.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm . . . . . 0 C--N 1.356 0.884 0 C-N-CA 124.651 1.18 . . . . 0.0 112.751 176.597 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.6 p -112.22 177.3 4.69 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 174.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.45 -24.01 61.14 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.471 1.108 . . . . 0.0 111.626 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -77.67 -25.66 49.72 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.556 1.542 . . . . 0.0 109.937 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -81.72 -52.71 6.87 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.36 -17.07 52.18 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 126.862 2.065 . . . . 0.0 113.896 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -59.06 -59.47 5.42 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.663 1.585 . . . . 0.0 110.405 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -62.94 -43.53 98.55 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 126.862 2.065 . . . . 0.0 112.722 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.0 mt -70.23 -36.93 74.84 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.1 0.96 . . . . 0.0 112.317 -169.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -77.72 -29.01 51.03 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.35 0.66 . . . . 0.0 110.093 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.11 46.15 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.143 0.977 . . . . 0.0 112.011 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -93.43 -33.51 13.8 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.56 -31.54 72.73 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.928 1.691 . . . . 0.0 111.886 -174.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.34 -51.97 67.25 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.1 m -85.9 -49.6 7.75 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.36 96.02 5.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.911 1.284 . . . . 0.0 108.222 -168.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.63 -56.24 4.88 Favored 'General case' 0 CA--C 1.491 -1.294 0 C-N-CA 122.95 0.5 . . . . 0.0 110.239 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -72.54 101.13 2.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 122.444 1.116 . . . . 0.0 110.39 -168.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.14 146.91 40.95 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.462 2.305 . . . . 0.0 108.425 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -97.83 155.67 16.94 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.13 -12.07 60.76 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.308 1.043 . . . . 0.0 110.824 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.74 -46.85 10.31 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -82.6 -27.47 31.48 Favored 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 121.818 -0.551 . . . . 0.0 111.422 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -51.2 -33.0 25.6 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 125.645 1.578 . . . . 0.0 112.94 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -85.39 -20.08 30.42 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.45 -170.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -88.33 -23.3 23.45 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.902 1.281 . . . . 0.0 108.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.58 -26.46 55.08 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -29.54 63.98 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.903 0.881 . . . . 0.0 111.026 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.72 -28.41 33.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.701 -0.624 . . . . 0.0 109.848 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.88 -68.29 0.73 Allowed 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 123.891 0.876 . . . . 0.0 112.421 -165.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -72.13 -28.86 63.54 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 126.301 1.84 . . . . 0.0 107.625 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.81 48.67 2.26 Favored Glycine 0 CA--C 1.486 -1.754 0 N-CA-C 106.643 -2.583 . . . . 0.0 106.643 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 mt -102.54 -169.78 1.71 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -122.39 175.82 6.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 168.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -71.88 -36.18 69.98 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.978 0.911 . . . . 0.0 109.83 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -68.98 -32.9 72.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 126.759 2.024 . . . . 0.0 111.727 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.64 -36.1 62.87 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.33 1.052 . . . . 0.0 110.977 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.9 mt -80.68 -28.02 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.892 1.277 . . . . 0.0 108.939 -174.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -55.6 -47.8 75.9 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.649 1.979 . . . . 0.0 110.369 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.31 -51.1 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 C-N-CA 127.639 2.376 . . . . 0.0 110.647 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -55.84 -49.21 73.93 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.258 1.823 . . . . 0.0 113.409 -170.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.32 -30.81 62.21 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.72 0.808 . . . . 0.0 111.883 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -72.79 -36.09 67.52 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 123.819 0.848 . . . . 0.0 111.365 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -69.12 -40.78 78.09 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.443 1.497 . . . . 0.0 110.933 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt . . . . . 0 CA--C 1.499 -0.993 0 C-N-CA 125.767 1.627 . . . . 0.0 113.135 -176.752 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p -114.62 179.19 4.02 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 170.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.51 -24.57 62.86 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.492 1.117 . . . . 0.0 111.248 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.81 -35.19 76.7 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 125.889 1.676 . . . . 0.0 110.998 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -85.81 -47.87 9.31 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 123.676 0.79 . . . . 0.0 108.997 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.5 -43.35 84.14 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.834 1.653 . . . . 0.0 112.437 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.49 -52.25 62.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.558 1.943 . . . . 0.0 112.806 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.55 -26.63 55.34 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.197 0.999 . . . . 0.0 111.646 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -72.63 -21.86 61.04 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.006 0.522 . . . . 0.0 111.592 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -75.57 -22.28 57.12 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 118.33 0.514 . . . . 0.0 110.103 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.98 37.6 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.971 0.908 . . . . 0.0 109.298 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -84.82 -4.42 59.07 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.411 1.084 . . . . 0.0 110.375 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -92.63 -35.84 13.31 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -74.36 -61.58 1.82 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.1 0.96 . . . . 0.0 110.174 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -88.3 -61.64 1.67 Allowed 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 123.652 0.781 . . . . 0.0 108.96 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -100.95 53.89 0.85 Allowed 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 125.052 1.341 . . . . 0.0 109.871 -164.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -69.72 -35.93 75.46 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 124.83 1.252 . . . . 0.0 112.087 -171.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -79.94 86.49 5.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 125.562 1.545 . . . . 0.0 109.29 -167.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 3.8 mp -79.65 156.08 27.77 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.762 1.625 . . . . 0.0 110.646 -174.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -120.99 -179.7 4.1 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 104.627 -2.361 . . . . 0.0 104.627 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.95 -31.22 66.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -83.16 -40.98 19.02 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.908 1.283 . . . . 0.0 110.411 -167.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.5 -21.49 19.43 Favored 'General case' 0 CA--C 1.482 -1.666 0 O-C-N 121.839 -0.538 . . . . 0.0 111.162 -172.171 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.73 -35.96 75.6 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 124.21 1.004 . . . . 0.0 109.736 166.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -93.2 -0.77 56.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.98 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.4 m -86.2 -25.41 25.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 167.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.5 -24.66 45.73 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 171.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.89 -25.4 58.91 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.76 -36.28 50.79 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.24 -68.8 0.58 Allowed 'General case' 0 CA--C 1.493 -1.23 0 C-N-CA 124.935 1.294 . . . . 0.0 113.389 -164.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -73.46 -25.54 60.53 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 126.064 1.745 . . . . 0.0 108.346 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.1 47.1 2.7 Favored Glycine 0 CA--C 1.488 -1.649 0 N-CA-C 107.013 -2.435 . . . . 0.0 107.013 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.74 -165.57 1.22 Allowed 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -123.78 178.71 5.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.48 -32.52 64.36 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.015 0.926 . . . . 0.0 109.538 173.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -70.03 -31.53 69.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 127.381 2.273 . . . . 0.0 111.146 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -71.53 -47.59 54.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.807 1.243 . . . . 0.0 110.721 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.77 -30.61 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 124.095 0.958 . . . . 0.0 110.601 -163.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -63.65 -43.38 96.92 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.019 -1.051 . . . . 0.0 112.083 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.84 -46.0 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 C-N-CA 128.034 2.533 . . . . 0.0 110.488 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -59.77 -42.19 92.76 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.855 1.662 . . . . 0.0 112.105 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -75.3 -28.71 59.81 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 123.543 0.737 . . . . 0.0 110.862 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -78.18 -22.11 49.15 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.632 0.773 . . . . 0.0 111.515 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.72 -43.23 56.1 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.68 1.192 . . . . 0.0 109.346 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.353 0.732 0 C-N-CA 126.254 1.822 . . . . 0.0 112.326 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -79.71 -1.44 11.46 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.125 2.55 . . . . 0.0 112.354 -169.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.3 mtp -104.53 -150.48 0.43 Allowed 'General case' 0 C--N 1.356 0.875 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.6 -98.89 0.08 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -94.85 112.83 24.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -161.66 -173.38 3.72 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -87.18 159.2 18.94 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' HE ' HH11 ' A' ' 10' ' ' ARG . 90.2 mtm180 -85.23 154.79 60.31 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.77 96.1 0.91 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.533 2.822 . . . . 0.0 109.689 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 HH11 ' HE ' ' A' ' 8' ' ' ARG . 79.3 mtm-85 -115.26 -91.9 0.51 Allowed 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 104.263 -2.495 . . . . 0.0 104.263 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.2 m -104.54 -45.87 4.52 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 167.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.25 141.13 50.59 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 125.049 1.34 . . . . 0.0 110.902 -173.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -99.27 165.82 11.5 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -118.91 -175.18 2.85 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.48 -27.21 64.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 -170.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -86.47 -21.51 26.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 123.985 0.914 . . . . 0.0 110.634 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -81.21 -48.46 12.04 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.06 -39.76 72.52 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.592 1.957 . . . . 0.0 112.741 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -55.94 -47.65 77.17 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.25 1.82 . . . . 0.0 111.882 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.472 HH12 ' HB2' ' A' ' 42' ' ' GLU . 71.8 ttt180 -61.27 -44.43 97.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.941 1.696 . . . . 0.0 111.551 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 mt -71.11 -29.14 64.88 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.396 0.678 . . . . 0.0 112.716 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmp? -74.83 -28.28 60.62 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 124.256 1.022 . . . . 0.0 110.565 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.18 -33.63 63.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.227 1.011 . . . . 0.0 110.15 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.34 -45.03 49.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.366 1.067 . . . . 0.0 109.663 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.87 -35.74 73.47 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 127.616 2.366 . . . . 0.0 111.738 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -62.07 -43.72 98.22 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.53 1.532 . . . . 0.0 111.58 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 m -80.33 -71.81 0.44 Allowed 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -112.98 114.93 27.6 Favored 'General case' 0 N--CA 1.427 -1.612 0 C-N-CA 126.001 1.72 . . . . 0.0 107.69 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -78.33 -21.74 49.11 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -79.27 89.15 4.91 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 125.899 1.68 . . . . 0.0 108.535 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 54' ' ' PHE . 51.9 tp -82.9 142.2 31.64 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -107.92 163.83 12.79 Favored 'General case' 0 CA--C 1.489 -1.383 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.67 -18.2 61.58 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 123.301 0.64 . . . . 0.0 111.346 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -90.17 -41.11 11.81 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 124.306 1.042 . . . . 0.0 109.984 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -77.89 -34.18 51.64 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.345 0.658 . . . . 0.0 109.684 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HE ' HD23 ' A' ' 31' ' ' LEU . 41.7 ttm180 -56.11 -32.72 64.45 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.011 1.724 . . . . 0.0 112.733 172.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -69.79 -27.21 64.71 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 125.555 1.542 . . . . 0.0 111.54 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.6 m -88.11 -28.6 21.19 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 109.849 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.69 -29.55 62.36 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.25 64.75 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 125.5 1.52 . . . . 0.0 110.686 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -75.96 -41.41 51.6 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HB2' HH12 ' A' ' 20' ' ' ARG . 55.0 mm-40 -93.99 -39.01 10.87 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -161.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.92 -32.08 67.01 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.23 34.38 6.76 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -100.12 -158.57 0.68 Allowed 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -114.56 179.81 3.85 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 165.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.43 -40.62 66.94 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 123.878 0.871 . . . . 0.0 109.922 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -64.34 -26.59 68.54 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 126.632 1.973 . . . . 0.0 113.433 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -73.82 -39.39 64.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.206 1.003 . . . . 0.0 110.655 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -88.02 -19.84 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 125.51 1.524 . . . . 0.0 109.182 -174.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.39 -49.12 72.83 Favored 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 125.177 1.391 . . . . 0.0 108.988 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.79 -44.57 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 128.153 2.581 . . . . 0.0 110.765 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -57.59 -47.06 83.16 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.561 1.545 . . . . 0.0 111.441 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 31' ' ' LEU . 3.3 m-85 -72.08 -33.0 67.57 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.074 0.95 . . . . 0.0 110.965 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.59 -30.92 64.8 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.15 0.98 . . . . 0.0 111.967 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -74.83 -42.38 58.11 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 125.364 1.466 . . . . 0.0 109.81 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -66.58 -42.26 87.27 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.894 1.678 . . . . 0.0 112.542 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -68.4 -22.76 64.61 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.812 1.245 . . . . 0.0 112.481 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.84 -3.03 59.02 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 123.781 0.832 . . . . 0.0 111.783 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.46 -30.58 37.48 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 123.508 0.723 . . . . 0.0 110.44 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.4 tt -69.37 166.38 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.093 0 C-N-CA 125.661 1.584 . . . . 0.0 110.863 -172.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -87.69 82.69 7.32 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -167.11 1.15 Allowed 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.4 -72.45 0.43 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.983 0.913 . . . . 0.0 109.939 -172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -81.55 166.83 19.91 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 68.26 -105.67 0.08 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.552 1.541 . . . . 0.0 109.414 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.706 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 173.637 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 118.233 -1.315 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.3 -17.76 11.42 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.858 2.372 . . . . 0.0 111.478 -169.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.8 mtm -104.15 173.61 6.23 Favored 'General case' 0 CA--C 1.499 -0.994 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.56 159.15 44.55 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 p -114.23 167.09 10.99 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -102.58 132.48 48.63 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.37 0.668 . . . . 0.0 110.166 -173.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.87 -151.59 0.47 Allowed 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 102.752 -3.055 . . . . 0.0 102.752 168.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -151.38 157.9 34.69 Favored Pre-proline 0 N--CA 1.441 -0.915 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.35 150.03 40.91 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.139 2.56 . . . . 0.0 108.392 156.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -92.01 163.64 13.91 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 121.983 0.897 . . . . 0.0 110.22 -171.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -97.49 3.39 50.76 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.897 1.679 . . . . 0.0 109.249 -173.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.27 25.07 2.0 Allowed 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.308 1.043 . . . . 0.0 110.197 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -133.62 174.95 9.88 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.5 p -107.09 178.14 4.65 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 169.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.4 66.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 123.958 0.903 . . . . 0.0 111.291 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -73.99 -29.83 62.17 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.409 1.484 . . . . 0.0 111.225 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -79.49 -49.43 12.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.707 0.803 . . . . 0.0 109.208 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -55.31 -39.98 70.57 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.627 1.971 . . . . 0.0 112.944 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -54.47 -49.5 69.96 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 126.906 2.082 . . . . 0.0 111.919 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.38 -42.68 96.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.341 1.456 . . . . 0.0 111.869 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.07 -27.86 67.71 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.502 1.121 . . . . 0.0 113.45 -174.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -75.61 -29.72 59.31 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.852 1.261 . . . . 0.0 110.199 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -27.78 38.32 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.191 0.997 . . . . 0.0 109.847 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -88.56 -14.66 37.11 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 124.414 1.086 . . . . 0.0 111.447 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -79.42 -36.76 38.5 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -64.76 -44.32 90.45 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.927 1.691 . . . . 0.0 110.639 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -76.61 -70.0 0.48 Allowed 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 124.217 1.007 . . . . 0.0 108.468 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.76 98.7 10.95 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 124.909 1.284 . . . . 0.0 108.326 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -83.03 -38.63 22.32 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -85.46 66.46 9.69 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 126.848 2.059 . . . . 0.0 106.676 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.92 121.2 24.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.85 2.06 . . . . 0.0 105.755 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -94.17 167.45 11.55 Favored 'General case' 0 CA--C 1.495 -1.147 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.95 -17.0 60.62 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 123.556 0.742 . . . . 0.0 111.416 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -86.77 -35.57 19.09 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.126 1.37 . . . . 0.0 108.833 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -80.04 -38.3 32.21 Favored 'General case' 0 CA--C 1.488 -1.436 0 C-N-CA 124.952 1.301 . . . . 0.0 109.485 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -61.5 -34.28 75.23 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.661 1.184 . . . . 0.0 111.911 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -87.35 -4.88 59.05 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -90.8 -21.68 21.39 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.93 -25.82 48.59 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 171.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -26.88 60.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.63 0.772 . . . . 0.0 110.832 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -74.55 -38.39 62.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 O-C-N 121.876 -0.515 . . . . 0.0 109.745 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.93 -45.81 7.78 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -164.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.92 -29.54 65.61 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.6 37.54 6.48 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 174.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 mt -104.24 -163.81 1.0 Allowed 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.44 -177.95 3.46 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 171.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.18 -39.69 65.41 Favored 'General case' 0 CA--C 1.496 -1.123 0 C-N-CA 124.019 0.927 . . . . 0.0 109.165 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -69.58 -27.79 65.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.282 2.233 . . . . 0.0 112.752 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -70.08 -46.09 65.63 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 124.058 0.943 . . . . 0.0 109.962 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.84 -19.48 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 C-N-CA 125.68 1.592 . . . . 0.0 109.157 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -64.26 -48.48 75.59 Favored 'General case' 0 CA--C 1.494 -1.185 0 C-N-CA 125.91 1.684 . . . . 0.0 110.167 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.06 -43.41 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 C-N-CA 128.385 2.674 . . . . 0.0 110.442 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -62.75 -43.57 98.45 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 124.723 1.209 . . . . 0.0 111.888 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -75.31 -25.68 58.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.291 0.636 . . . . 0.0 110.594 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -70.15 -27.59 64.67 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.095 0.958 . . . . 0.0 111.194 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.88 -47.3 53.78 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.356 1.062 . . . . 0.0 109.579 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -70.25 -30.93 68.11 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -79.94 -26.03 40.22 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 124.186 0.994 . . . . 0.0 110.024 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.4 -5.24 58.94 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.805 0.842 . . . . 0.0 111.344 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.06 -56.93 12.72 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 166.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.1 145.7 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.267 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -72.33 -42.27 65.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 124.301 1.041 . . . . 0.0 109.7 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -86.13 162.78 18.22 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.98 82.6 0.57 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 174.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -91.27 116.39 28.79 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -119.66 179.81 4.12 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.618 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -178.093 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 CA-C-O 118.297 -1.279 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -78.63 -11.66 15.45 Favored 'Trans proline' 0 CA--C 1.508 -0.807 0 C-N-CA 123.255 2.637 . . . . 0.0 110.631 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -112.28 -167.04 1.13 Allowed 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.27 94.98 9.47 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -152.93 154.77 35.7 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -134.26 163.65 29.15 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -96.54 155.12 16.9 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.4 mmt-85 -117.71 150.26 46.6 Favored Pre-proline 0 N--CA 1.442 -0.84 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.01 109.78 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.847 2.365 . . . . 0.0 111.264 -159.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -121.76 -73.43 0.65 Allowed 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 102.158 -3.275 . . . . 0.0 102.158 170.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -108.25 -19.09 13.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 166.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.26 -147.16 0.26 Allowed 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 124.418 1.087 . . . . 0.0 111.016 -159.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -101.77 178.26 4.67 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 125.224 1.41 . . . . 0.0 109.404 -162.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 p -119.16 -171.19 2.06 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 163.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.68 -33.41 66.5 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 123.53 0.732 . . . . 0.0 110.625 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -77.45 -24.46 50.29 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.468 1.507 . . . . 0.0 111.761 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.15 -41.73 27.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 123.289 0.636 . . . . 0.0 109.528 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD22 ' HE1' ' A' ' 53' ' ' TRP . 81.1 mt -63.84 -42.67 97.55 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.74 1.216 . . . . 0.0 113.469 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -71.27 -28.78 64.38 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.682 0.793 . . . . 0.0 112.316 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -72.48 -32.54 66.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.035 1.334 . . . . 0.0 110.445 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.62 -22.9 58.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.381 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -78.34 -23.25 47.06 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.082 0.856 . . . . 0.0 109.854 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.23 -22.33 41.89 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.128 0.971 . . . . 0.0 110.015 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.53 -37.59 22.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.382 1.073 . . . . 0.0 109.126 172.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.34 -30.71 68.8 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.684 1.594 . . . . 0.0 112.48 -168.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.77 -40.37 96.52 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 m -92.03 -47.88 7.04 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -118.86 111.05 17.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.82 -163.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.43 -74.2 0.36 Allowed 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 167.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.27 99.53 7.12 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.103 1.361 . . . . 0.0 108.762 -166.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD22 ' HE ' ' A' ' 35' ' ' ARG . 81.5 mt -74.71 169.02 18.68 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.583 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.2 p -94.06 178.15 5.74 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.4 -29.61 63.9 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -82.76 -40.11 20.94 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 124.881 1.272 . . . . 0.0 111.314 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HE ' HD22 ' A' ' 31' ' ' LEU . 57.5 mtp85 -68.11 -47.43 68.2 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -64.56 -39.61 94.07 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.745 1.218 . . . . 0.0 112.165 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.68 -8.32 59.14 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 122.863 0.465 . . . . 0.0 111.788 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 t -92.64 -18.84 22.52 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.23 -23.17 43.92 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.27 60.66 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.062 0.945 . . . . 0.0 110.882 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -82.1 -28.23 32.42 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 121.822 -0.549 . . . . 0.0 110.027 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -81.63 -69.66 0.6 Allowed 'General case' 0 CA--C 1.491 -1.298 0 C-N-CA 123.892 0.877 . . . . 0.0 112.234 -164.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.18 -26.02 58.73 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 126.299 1.84 . . . . 0.0 107.963 -177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.76 42.72 2.82 Favored Glycine 0 CA--C 1.487 -1.707 0 N-CA-C 107.283 -2.327 . . . . 0.0 107.283 171.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.9 -164.72 1.15 Allowed 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -115.11 -174.15 2.44 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 103.102 -2.925 . . . . 0.0 103.102 164.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.31 -41.17 57.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -64.61 -29.84 70.86 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 127.53 2.332 . . . . 0.0 113.264 -173.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -69.46 -35.75 75.92 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.232 1.013 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.91 -22.46 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 123.388 0.675 . . . . 0.0 109.487 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.96 -32.53 69.42 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.792 0.837 . . . . 0.0 110.699 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.37 -42.75 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 C-N-CA 126.799 2.04 . . . . 0.0 109.407 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.4 ' HE1' HD22 ' A' ' 18' ' ' LEU . 69.2 t90 -63.04 -30.67 71.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.927 1.691 . . . . 0.0 112.114 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -80.36 -28.43 38.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.079 0.952 . . . . 0.0 110.228 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.24 -26.96 62.22 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 118.97 0.804 . . . . 0.0 110.677 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -75.78 -57.59 3.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 124.81 1.244 . . . . 0.0 110.121 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.3 -41.24 90.04 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -172.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -77.26 -18.74 57.38 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 122.943 0.497 . . . . 0.0 111.878 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.4 -18.52 48.67 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.052 0.941 . . . . 0.0 111.655 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -77.86 -33.88 51.98 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.474 -0.766 . . . . 0.0 109.506 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -87.18 151.56 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -95.39 83.03 3.76 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -102.04 -87.95 0.39 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' H ' ' H ' ' A' ' 65' ' ' THR . . . -143.81 -23.96 0.57 Allowed 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.413 ' H ' ' H ' ' A' ' 64' ' ' ALA . 58.2 m -69.31 -49.23 57.77 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.921 1.688 . . . . 0.0 108.541 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -84.98 -75.11 0.37 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.674 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -178.657 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.38 -12.92 18.8 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 123.747 2.965 . . . . 0.0 110.433 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -87.49 168.58 12.96 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.266 1.427 . . . . 0.0 110.102 -172.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.98 -95.48 0.21 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 m -126.29 -145.57 0.32 Allowed 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -85.81 130.63 34.5 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -116.25 -169.73 1.67 Allowed 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 121.611 0.72 . . . . 0.0 109.283 -166.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 158.6 58.6 Favored Pre-proline 0 N--CA 1.441 -0.877 0 C-N-CA 126.289 1.835 . . . . 0.0 107.868 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.83 154.91 34.4 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.732 2.288 . . . . 0.0 109.894 173.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 72.37 -177.36 0.19 Allowed 'General case' 0 C--N 1.356 0.871 0 C-N-CA 126.499 1.92 . . . . 0.0 112.451 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.4 m -100.48 77.69 1.95 Allowed 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.73 99.27 8.02 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -91.9 166.4 12.74 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.5 p -103.01 -179.08 3.85 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.48 67.61 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.257 1.023 . . . . 0.0 110.97 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.27 -29.52 60.16 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.416 1.486 . . . . 0.0 111.19 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.37 -49.04 12.03 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 123.454 0.702 . . . . 0.0 109.277 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -51.65 -44.61 63.06 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.242 1.817 . . . . 0.0 112.835 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -53.84 -49.15 69.06 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.831 2.052 . . . . 0.0 112.72 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -39.87 95.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.402 1.881 . . . . 0.0 111.787 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.8 -29.53 62.22 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 124.63 1.172 . . . . 0.0 111.851 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -82.24 -21.89 36.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.976 1.31 . . . . 0.0 110.035 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.59 -34.56 35.13 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 109.075 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.95 -54.72 7.31 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.85 1.26 . . . . 0.0 110.259 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -73.9 -25.3 59.93 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.693 1.197 . . . . 0.0 111.873 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -71.12 -48.17 53.76 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.851 0.86 . . . . 0.0 110.703 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.4 m -73.05 -69.8 0.4 Allowed 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.268 1.027 . . . . 0.0 108.52 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -100.55 112.72 25.14 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 105.804 -1.925 . . . . 0.0 105.804 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.41 20.13 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -68.95 97.56 0.86 Allowed 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.612 1.565 . . . . 0.0 110.735 -166.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.613 HD12 ' HE ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -94.62 124.88 38.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 112.858 -1.974 . . . . 0.0 106.372 -171.389 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -101.33 178.41 4.65 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.93 -31.84 64.88 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.664 1.186 . . . . 0.0 108.552 173.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -76.92 -38.53 53.26 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 125.523 1.529 . . . . 0.0 110.364 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.439 HH21 HD22 ' A' ' 31' ' ' LEU . 24.5 mtp85 -72.65 -43.7 62.84 Favored 'General case' 0 CA--C 1.489 -1.367 0 C-N-CA 124.889 1.276 . . . . 0.0 109.446 175.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.613 ' HE ' HD12 ' A' ' 31' ' ' LEU . 27.8 ttm180 -59.8 -34.0 72.46 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -88.1 -5.64 58.35 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 122.534 0.334 . . . . 0.0 110.826 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.1 m -89.69 -24.53 21.56 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.77 -29.94 56.3 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.24 64.26 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 123.666 0.786 . . . . 0.0 110.37 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -72.81 -40.92 65.44 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.372 0.669 . . . . 0.0 109.8 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -92.51 -45.33 8.18 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -162.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -72.27 -30.39 64.8 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.18 39.09 6.15 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 107.833 -2.107 . . . . 0.0 107.833 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -105.7 -169.01 1.52 Allowed 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -107.53 -179.3 3.87 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 170.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.47 -34.12 58.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 123.781 0.832 . . . . 0.0 109.277 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -70.31 -30.24 67.17 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.432 2.293 . . . . 0.0 112.894 -169.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -82.86 -31.52 27.93 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.326 0.65 . . . . 0.0 110.115 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.459 HG22 ' CE2' ' A' ' 54' ' ' PHE . 6.9 mt -84.51 -15.21 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -48.43 81.21 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.879 1.672 . . . . 0.0 108.763 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.31 -46.64 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.158 0 C-N-CA 128.266 2.626 . . . . 0.0 109.95 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.67 -40.03 90.59 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.527 1.131 . . . . 0.0 112.927 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 50' ' ' ILE . 26.0 m-85 -74.47 -31.95 62.4 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 124.03 0.932 . . . . 0.0 111.11 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -71.71 -25.74 62.2 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 111.379 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.7 -44.59 66.61 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.716 1.206 . . . . 0.0 110.091 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -67.51 -29.53 68.97 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 124.59 1.156 . . . . 0.0 112.842 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -83.37 -17.33 42.7 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 124.576 1.151 . . . . 0.0 110.585 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.29 -5.7 57.36 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.097 0.959 . . . . 0.0 111.777 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -70.63 -45.03 65.97 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 123.654 0.781 . . . . 0.0 110.61 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.0 tt -71.11 -24.05 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 125.331 1.452 . . . . 0.0 112.392 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.21 99.59 1.93 Allowed 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 123.581 0.752 . . . . 0.0 111.03 -171.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -98.81 -171.53 2.12 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.37 -62.52 1.65 Allowed 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 174.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.9 m -94.11 94.55 8.45 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 104.2 -2.519 . . . . 0.0 104.2 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -96.59 138.07 34.71 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.638 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.7 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.609 -0.597 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.6 -8.03 16.93 Favored 'Trans proline' 0 CA--C 1.51 -0.695 0 C-N-CA 123.808 3.006 . . . . 0.0 110.424 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.0 -178.47 4.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 125.708 1.603 . . . . 0.0 107.246 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.75 127.22 33.64 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 173.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -83.11 125.86 31.96 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -172.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -98.18 150.74 21.16 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.01 135.87 43.7 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 172.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.59 137.41 23.33 Favored Pre-proline 0 N--CA 1.44 -0.953 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.38 78.27 3.77 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.519 2.813 . . . . 0.0 108.736 163.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -118.01 179.83 3.97 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -76.43 -48.19 20.55 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.345 1.858 . . . . 0.0 106.606 165.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.73 -125.36 0.2 Allowed 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.016 -162.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -66.33 162.86 19.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 127.914 2.486 . . . . 0.0 112.055 -172.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.7 p -113.2 -176.88 3.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 169.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.37 61.9 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.369 0.668 . . . . 0.0 110.988 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.01 -27.05 61.55 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.955 1.702 . . . . 0.0 111.509 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -87.77 -45.64 10.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 123.653 0.781 . . . . 0.0 109.369 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.84 -40.58 93.35 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.937 1.695 . . . . 0.0 113.287 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -68.08 -29.24 68.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 124.039 0.935 . . . . 0.0 111.908 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -73.87 -35.01 64.69 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.548 1.539 . . . . 0.0 110.622 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.6 mt -74.73 -23.01 58.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 124.046 0.938 . . . . 0.0 111.77 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -82.15 -21.69 36.46 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.416 1.086 . . . . 0.0 109.536 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -30.59 44.69 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.144 0.978 . . . . 0.0 109.752 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -39.35 63.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 124.149 0.979 . . . . 0.0 109.263 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -69.11 -29.9 68.06 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 125.716 1.606 . . . . 0.0 110.55 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.59 -46.41 69.44 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.448 1.099 . . . . 0.0 110.817 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.9 m -76.88 -69.72 0.5 Allowed 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 124.068 0.947 . . . . 0.0 108.738 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.47 106.36 18.63 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.18 -59.08 2.9 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 123.895 0.878 . . . . 0.0 110.237 -170.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.45 71.05 3.15 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.01 138.28 58.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 128.275 2.63 . . . . 0.0 108.726 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.1 p -92.08 167.53 12.01 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.486 1.115 . . . . 0.0 108.71 -166.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -72.57 -21.65 61.11 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 125.48 1.512 . . . . 0.0 110.052 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.04 -44.26 14.3 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.914 1.286 . . . . 0.0 109.941 -173.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.6 mtp-105 -78.09 -24.11 47.69 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 123.902 0.881 . . . . 0.0 109.695 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -57.79 -20.87 38.58 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -79.19 -16.66 56.24 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 121.423 -0.798 . . . . 0.0 111.188 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 m -87.65 -27.87 22.2 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.79 -21.09 57.71 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 123.529 0.731 . . . . 0.0 109.439 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.21 -26.91 62.22 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.203 1.001 . . . . 0.0 110.764 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -86.53 -22.44 26.36 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.712 -0.618 . . . . 0.0 109.624 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.09 -68.43 0.58 Allowed 'General case' 0 CA--C 1.492 -1.254 0 C-N-CA 124.607 1.163 . . . . 0.0 112.438 -166.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -77.31 -27.21 52.82 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.178 1.391 . . . . 0.0 107.601 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.46 37.38 4.04 Favored Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.43 -158.16 0.65 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -110.64 -167.82 1.23 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -74.58 -45.95 41.9 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 m -56.03 -38.75 70.96 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 129.091 2.956 . . . . 0.0 115.231 -168.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -70.64 -41.51 72.06 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 124.392 1.077 . . . . 0.0 110.492 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 mt -85.6 -14.31 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 126.117 1.767 . . . . 0.0 108.398 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -70.91 -42.63 69.67 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 125.182 1.393 . . . . 0.0 107.963 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.93 -46.61 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 C-N-CA 127.182 2.193 . . . . 0.0 109.538 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -58.02 -46.16 85.74 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.146 1.378 . . . . 0.0 112.377 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -79.15 -24.87 43.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 123.027 0.531 . . . . 0.0 111.148 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.03 -24.66 63.31 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.622 1.101 . . . . 0.0 111.278 176.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -74.83 -56.03 5.2 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 124.077 0.951 . . . . 0.0 109.066 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -44.21 94.32 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.998 1.319 . . . . 0.0 113.996 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -71.12 -28.26 64.17 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.233 1.013 . . . . 0.0 111.701 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.48 -34.19 58.67 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.819 0.848 . . . . 0.0 110.941 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.24 -52.3 35.61 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.379 1.071 . . . . 0.0 110.604 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.1 tt -71.92 146.32 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.286 0 CA-C-O 121.832 0.825 . . . . 0.0 111.599 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -110.65 -76.06 0.61 Allowed 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -119.37 -84.73 0.66 Allowed 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.91 -54.95 2.85 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.512 1.125 . . . . 0.0 108.148 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 t -78.67 150.57 32.56 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.167 0.987 . . . . 0.0 109.017 -175.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -130.65 172.3 12.1 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.65 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.664 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -78.25 -7.93 16.21 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.222 2.615 . . . . 0.0 110.637 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.0 ptm -117.45 18.54 14.3 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.794 1.238 . . . . 0.0 108.456 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.03 -146.77 0.2 Allowed 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -92.01 -177.56 4.74 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.98 144.27 31.95 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -112.54 -170.29 1.64 Allowed 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -171.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -92.31 146.52 32.73 Favored Pre-proline 0 N--CA 1.441 -0.895 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.69 171.74 16.2 Favored 'Trans proline' 0 CA--C 1.506 -0.89 0 C-N-CA 123.137 2.558 . . . . 0.0 110.057 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -95.53 -79.96 0.43 Allowed 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 t -93.26 -22.08 19.22 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 124.925 1.29 . . . . 0.0 108.911 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.09 -168.7 2.26 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 122.02 0.914 . . . . 0.0 111.611 -161.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -95.94 161.99 13.76 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 124.815 1.246 . . . . 0.0 109.618 -166.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.0 p -115.16 -171.87 2.03 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 104.318 -2.475 . . . . 0.0 104.318 167.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.43 63.24 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 123.929 0.892 . . . . 0.0 110.905 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -79.0 -23.56 44.31 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 125.595 1.558 . . . . 0.0 111.46 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.62 -47.49 11.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.3 -25.73 62.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.063 1.745 . . . . 0.0 113.385 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -57.54 -52.57 64.87 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.502 1.521 . . . . 0.0 111.477 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -62.14 -47.29 85.22 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.932 1.693 . . . . 0.0 111.33 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -69.73 -33.08 71.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 124.207 1.003 . . . . 0.0 113.615 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.89 -24.1 28.64 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 124.308 1.043 . . . . 0.0 109.716 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.58 67.58 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 123.926 0.891 . . . . 0.0 109.967 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -90.55 -12.25 37.66 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -71.75 -33.29 68.54 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.013 0.824 . . . . 0.0 109.114 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.3 -42.0 90.3 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.865 1.666 . . . . 0.0 111.516 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.9 m -81.39 -72.18 0.44 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -101.03 131.25 47.01 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 125.635 1.574 . . . . 0.0 109.126 -167.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -95.58 -60.76 1.59 Allowed 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 167.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -79.55 100.36 7.73 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.844 0.857 . . . . 0.0 109.787 -165.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.46 161.34 26.14 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.222 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.4 p -101.69 176.8 5.1 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.35 -25.89 60.79 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -86.77 -35.33 19.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.701 1.201 . . . . 0.0 110.984 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -66.81 -47.5 71.85 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 124.573 1.149 . . . . 0.0 108.544 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -58.52 -36.07 73.27 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.023 1.729 . . . . 0.0 112.952 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.54 -27.31 68.36 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 126.072 1.749 . . . . 0.0 112.132 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -83.61 -34.39 25.13 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.25 -26.56 65.74 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 124.554 1.141 . . . . 0.0 109.698 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.92 63.68 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.717 1.607 . . . . 0.0 111.242 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -76.32 -30.47 57.7 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 121.6 -0.688 . . . . 0.0 110.226 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -68.27 -71.13 0.22 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 mt -77.12 -27.62 54.07 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 125.532 1.533 . . . . 0.0 108.617 -172.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.52 41.25 2.22 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -98.19 -169.33 1.79 Allowed 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -108.41 178.0 4.63 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -73.73 -36.97 65.25 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -65.66 -34.61 78.62 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.943 2.097 . . . . 0.0 111.706 -174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -66.79 -44.95 79.92 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.87 1.268 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.1 mt -86.22 -16.3 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 C-N-CA 124.54 1.136 . . . . 0.0 109.573 -171.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -67.66 -51.96 43.7 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 124.324 1.05 . . . . 0.0 108.976 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.61 -44.9 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.245 0 C-N-CA 128.088 2.555 . . . . 0.0 110.317 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -61.56 -43.99 97.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.177 1.391 . . . . 0.0 112.071 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.89 -34.56 71.69 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.642 0.655 . . . . 0.0 110.398 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.42 -24.36 63.82 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.039 0.935 . . . . 0.0 112.187 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.05 -44.92 52.52 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.937 1.295 . . . . 0.0 109.789 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -65.8 -36.07 82.47 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.806 1.242 . . . . 0.0 112.379 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -79.03 -20.5 48.8 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.115 1.366 . . . . 0.0 111.311 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.88 -28.49 44.13 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.264 1.026 . . . . 0.0 110.777 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -70.64 -32.72 70.13 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.514 1.125 . . . . 0.0 110.506 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.1 mt -80.75 134.06 28.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -38.1 21.73 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 123.992 0.917 . . . . 0.0 110.094 -173.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -98.21 -143.82 0.31 Allowed 'General case' 0 C--N 1.356 0.885 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.83 -50.43 3.54 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 172.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.0 m -88.88 165.42 14.64 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 76.99 -155.56 0.03 OUTLIER 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.186 1.794 . . . . 0.0 109.516 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.668 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -178.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.86 -5.95 14.89 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.727 2.951 . . . . 0.0 110.798 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 35.9 mmt -88.5 106.68 18.44 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.01 -110.59 0.14 Allowed 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 103.424 -2.806 . . . . 0.0 103.424 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -85.1 106.33 16.48 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' A' ' 8' ' ' ARG . 27.6 m-20 -128.18 -153.98 0.6 Allowed 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 -176.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -104.7 14.68 29.32 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.458 ' H ' ' HB2' ' A' ' 6' ' ' ASP . 79.8 ttt180 -120.14 135.76 24.61 Favored Pre-proline 0 N--CA 1.436 -1.132 0 N-CA-C 103.509 -2.774 . . . . 0.0 103.509 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -87.23 49.96 2.0 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.056 2.504 . . . . 0.0 110.459 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 62.22 -108.68 0.3 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 126.315 1.846 . . . . 0.0 111.281 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -123.68 -32.81 3.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 173.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.4 142.56 58.15 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.213 1.405 . . . . 0.0 112.911 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -107.95 174.86 5.69 Favored 'General case' 0 CA--C 1.5 -0.962 0 C-N-CA 124.925 1.29 . . . . 0.0 108.504 -174.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.6 p -104.11 -179.19 3.88 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.27 68.81 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.484 1.113 . . . . 0.0 111.337 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.31 -29.97 60.21 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.45 1.5 . . . . 0.0 110.97 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -78.23 -52.1 9.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.497 1.119 . . . . 0.0 109.487 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -50.48 -47.27 57.22 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.623 1.969 . . . . 0.0 112.916 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -44.68 -59.54 2.44 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.79 2.436 . . . . 0.0 113.439 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HE ' HD21 ' A' ' 43' ' ' LEU . 66.9 ttp85 -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.557 1.543 . . . . 0.0 112.3 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.02 -30.81 71.41 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.397 1.079 . . . . 0.0 113.029 -175.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -74.91 -31.14 61.48 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.322 1.049 . . . . 0.0 110.323 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.13 32.24 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.123 0.969 . . . . 0.0 110.399 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -83.1 -36.87 24.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.192 0.997 . . . . 0.0 110.694 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -76.97 -18.87 57.94 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.106 0.962 . . . . 0.0 110.653 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -66.37 -41.29 89.68 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 109.921 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 m -76.68 -66.26 0.83 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 124.678 1.191 . . . . 0.0 108.459 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.54 91.22 8.72 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.987 1.715 . . . . 0.0 108.077 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -82.43 -48.15 11.43 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 124.594 1.158 . . . . 0.0 108.303 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -86.12 71.68 10.52 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.918 1.687 . . . . 0.0 106.673 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.79 135.44 34.11 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 128.015 2.526 . . . . 0.0 107.614 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.7 p -99.94 172.09 7.44 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 124.334 1.054 . . . . 0.0 108.639 -167.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -20.13 60.2 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.513 1.125 . . . . 0.0 111.216 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -83.5 -36.29 24.21 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.347 1.459 . . . . 0.0 108.777 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -70.8 -47.1 61.29 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.5 1.12 . . . . 0.0 109.066 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -57.31 -35.7 70.16 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.425 1.49 . . . . 0.0 113.681 -174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -85.57 -6.98 59.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 123.313 0.645 . . . . 0.0 110.951 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -97.87 -18.73 18.54 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.44 -23.33 43.21 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -26.89 61.38 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.496 1.118 . . . . 0.0 110.332 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -81.39 -26.57 35.34 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.715 -0.615 . . . . 0.0 110.048 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -81.51 -66.66 0.86 Allowed 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -163.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.445 HD21 ' HE ' ' A' ' 20' ' ' ARG . 63.6 mt -74.81 -27.8 60.45 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 124.904 1.282 . . . . 0.0 108.027 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.09 42.07 2.89 Favored Glycine 0 CA--C 1.49 -1.501 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.9 mt -101.32 -162.11 0.91 Allowed 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -113.36 -179.05 3.53 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 170.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.36 -40.68 64.19 Favored 'General case' 0 CA--C 1.494 -1.189 0 C-N-CA 123.77 0.828 . . . . 0.0 108.79 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -66.7 -34.57 78.15 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 127.21 2.204 . . . . 0.0 112.733 -166.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -70.51 -38.71 74.31 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 123.906 0.882 . . . . 0.0 111.22 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt -86.59 -19.84 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 123.949 0.899 . . . . 0.0 109.253 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -66.0 -42.43 89.74 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 124.478 1.111 . . . . 0.0 109.757 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.61 -47.8 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 C-N-CA 127.709 2.403 . . . . 0.0 109.891 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -61.62 -38.55 88.04 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.607 1.563 . . . . 0.0 112.698 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -73.58 -35.76 65.49 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.354 1.062 . . . . 0.0 109.869 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -78.93 -15.97 57.61 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.91 1.284 . . . . 0.0 112.319 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.65 -44.29 57.19 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.383 1.073 . . . . 0.0 108.172 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -69.0 -25.2 64.39 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.674 1.19 . . . . 0.0 112.568 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -70.79 -30.25 66.67 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 123.84 0.856 . . . . 0.0 110.747 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.41 -30.76 47.88 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.344 1.058 . . . . 0.0 110.216 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -91.7 30.45 1.35 Allowed 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.646 1.178 . . . . 0.0 111.21 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.7 mt -88.57 -76.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 104.857 -2.275 . . . . 0.0 104.857 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -160.86 -49.52 0.05 OUTLIER 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 101.712 -3.44 . . . . 0.0 101.712 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.88 -175.24 2.74 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 124.794 1.237 . . . . 0.0 107.85 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.04 -40.3 17.0 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 124.428 1.091 . . . . 0.0 110.684 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 66' ' ' GLN . 1.9 m -84.14 170.77 13.47 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -175.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' H ' HG22 ' A' ' 65' ' ' THR . 31.5 tt0 -80.73 -59.79 2.55 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.586 0 CA-C-O 118.001 -0.999 . . . . 0.0 108.53 176.434 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.17 0.78 9.73 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.691 2.928 . . . . 0.0 110.648 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.7 mtm -90.5 172.34 8.78 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.773 1.229 . . . . 0.0 108.408 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.72 169.85 10.94 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 123.71 0.804 . . . . 0.0 108.873 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -90.72 145.56 24.71 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -94.24 -166.16 1.44 Allowed 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -94.83 133.96 37.98 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -125.53 146.84 56.02 Favored Pre-proline 0 N--CA 1.44 -0.96 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.61 151.02 28.38 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.401 2.068 . . . . 0.0 110.432 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 71.53 149.2 0.09 Allowed 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 127.446 2.298 . . . . 0.0 114.322 174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -119.32 5.03 11.2 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.401 1.48 . . . . 0.0 107.685 -175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.89 21.36 3.64 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 124.276 1.03 . . . . 0.0 110.326 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -127.01 175.47 8.07 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.3 p -108.36 179.59 4.16 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 168.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.49 71.5 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.133 0.973 . . . . 0.0 111.401 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -82.18 -24.3 35.05 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.774 1.229 . . . . 0.0 111.42 -174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.41 -43.56 27.1 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.57 -49.46 77.45 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 125.276 1.43 . . . . 0.0 110.802 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.02 -51.89 48.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 128.986 2.914 . . . . 0.0 113.366 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.36 -42.3 95.48 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 126.054 1.742 . . . . 0.0 111.307 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.04 -19.88 61.77 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -67.16 -30.59 70.61 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 119.15 0.886 . . . . 0.0 110.676 176.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -37.66 32.15 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 124.253 1.021 . . . . 0.0 109.351 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -69.68 -32.6 71.31 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.593 1.557 . . . . 0.0 110.95 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -58.76 -36.27 74.11 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 125.779 1.631 . . . . 0.0 111.995 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.42 -53.34 29.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.513 1.125 . . . . 0.0 111.551 -176.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.6 m -81.08 -66.91 0.83 Allowed 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 109.033 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.47 81.17 2.31 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 126.213 1.805 . . . . 0.0 107.741 -172.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -83.62 -50.15 8.49 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -88.74 78.82 7.6 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.679 1.592 . . . . 0.0 106.823 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.37 159.33 21.39 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 126.624 1.97 . . . . 0.0 110.768 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -108.19 170.43 8.01 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 173.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -73.8 -27.83 61.33 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.635 0.774 . . . . 0.0 109.371 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -79.38 -33.22 42.98 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.007 1.723 . . . . 0.0 110.729 -171.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -73.26 -50.39 22.54 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -60.0 -27.94 67.29 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -168.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -82.25 -11.39 58.69 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 123.945 0.898 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 t -102.19 -16.06 16.47 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -81.3 -27.22 35.14 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.12 -24.52 59.46 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.884 1.274 . . . . 0.0 109.996 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.98 -31.75 34.65 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.28 -69.7 0.51 Allowed 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 124.079 0.952 . . . . 0.0 113.221 -164.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.61 -31.75 67.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 125.488 1.515 . . . . 0.0 107.65 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.42 42.08 2.43 Favored Glycine 0 CA--C 1.489 -1.564 0 N-CA-C 106.869 -2.492 . . . . 0.0 106.869 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -97.09 -162.46 0.96 Allowed 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -116.45 -179.23 3.62 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 168.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.62 -36.86 62.94 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -60.47 -35.0 74.84 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 127.48 2.312 . . . . 0.0 112.656 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -67.14 -42.88 83.66 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.071 1.348 . . . . 0.0 111.121 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -82.7 -26.23 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.97 1.308 . . . . 0.0 109.587 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -63.56 -40.1 96.12 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.414 1.086 . . . . 0.0 110.63 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.3 mt -70.89 -49.28 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 126.087 1.755 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -58.59 -42.01 87.09 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.428 1.891 . . . . 0.0 112.7 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -73.21 -40.32 64.82 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 124.082 0.953 . . . . 0.0 111.099 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -73.13 -24.75 60.65 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.284 1.034 . . . . 0.0 112.074 -177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -75.6 -38.69 58.87 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.093 1.357 . . . . 0.0 109.064 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -70.16 -9.35 55.4 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 126.083 1.753 . . . . 0.0 115.213 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -77.58 -29.49 52.08 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 124.282 1.033 . . . . 0.0 109.831 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.6 -25.48 49.92 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.606 1.162 . . . . 0.0 110.708 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -73.37 -43.95 59.6 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 124.302 1.041 . . . . 0.0 111.029 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -54.79 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -176.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -102.24 96.36 6.92 Favored 'General case' 0 CA--C 1.496 -1.107 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -103.62 -160.73 0.79 Allowed 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.83 -75.47 0.22 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.6 m -96.13 107.56 19.89 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -84.45 -71.81 0.5 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.72 0 CA-C-O 117.917 -1.04 . . . . 0.0 108.257 177.774 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.43 -9.99 17.44 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.373 2.716 . . . . 0.0 110.554 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -109.05 17.2 21.93 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.552 1.541 . . . . 0.0 108.43 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.49 -117.77 0.22 Allowed 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 103.812 -2.662 . . . . 0.0 103.812 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -92.93 103.56 15.88 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 176.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -90.58 151.11 21.46 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -92.26 151.47 20.31 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -133.38 167.65 21.86 Favored Pre-proline 0 N--CA 1.438 -1.051 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -70.78 100.68 0.97 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.152 2.568 . . . . 0.0 108.724 162.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -83.65 149.69 26.36 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 124.383 1.073 . . . . 0.0 109.077 -172.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -95.21 80.59 3.58 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.93 70.42 3.36 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 106.803 -1.555 . . . . 0.0 106.803 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -88.51 171.0 10.4 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 124.638 1.175 . . . . 0.0 108.1 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -100.32 178.96 4.6 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.82 70.13 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.843 0.857 . . . . 0.0 111.275 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -76.79 -25.24 53.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.186 1.395 . . . . 0.0 111.263 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.84 -53.49 7.04 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.698 0.799 . . . . 0.0 109.255 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.95 -52.86 47.33 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 126.609 1.964 . . . . 0.0 113.405 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.26 -33.14 73.04 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.869 1.268 . . . . 0.0 113.741 -171.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -73.75 -39.29 64.33 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.077 1.351 . . . . 0.0 110.645 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.43 -22.97 56.92 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.109 0.964 . . . . 0.0 111.97 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -84.58 -28.11 26.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 125.038 1.335 . . . . 0.0 109.143 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.37 -16.59 54.15 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.2 1.0 . . . . 0.0 109.841 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -84.84 -46.14 11.63 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 171.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.53 -38.28 63.63 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.949 2.1 . . . . 0.0 113.469 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.91 -54.88 28.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.042 1.337 . . . . 0.0 114.0 -172.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.5 m -91.15 -54.39 3.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -105.44 104.07 13.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.807 1.243 . . . . 0.0 109.22 -166.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -93.71 -73.77 0.56 Allowed 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -66.99 103.78 1.23 Allowed 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 124.744 1.218 . . . . 0.0 111.995 -162.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.27 157.21 37.5 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 125.782 1.633 . . . . 0.0 109.465 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.3 p -97.62 175.66 6.12 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 168.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.98 -20.95 60.18 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.908 -0.495 . . . . 0.0 110.21 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -91.02 -35.83 14.42 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.934 1.294 . . . . 0.0 110.556 -173.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.29 -33.97 32.27 Favored 'General case' 0 CA--C 1.491 -1.309 0 C-N-CA 124.262 1.025 . . . . 0.0 109.448 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.67 -35.71 76.91 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 125.959 1.704 . . . . 0.0 110.956 170.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.28 -23.36 61.18 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.97 1.308 . . . . 0.0 111.19 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -82.73 -27.73 30.93 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.88 -24.37 55.67 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.1 62.37 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.307 1.443 . . . . 0.0 110.478 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -84.17 -19.56 33.9 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.336 0.654 . . . . 0.0 109.814 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.55 -71.07 0.41 Allowed 'General case' 0 CA--C 1.494 -1.191 0 C-N-CA 124.51 1.124 . . . . 0.0 112.351 -169.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.79 -27.8 44.55 Favored 'General case' 0 CA--C 1.493 -1.218 0 C-N-CA 125.809 1.644 . . . . 0.0 108.087 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.71 38.45 3.43 Favored Glycine 0 CA--C 1.49 -1.52 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HB2' HD11 ' A' ' 50' ' ' ILE . 19.6 mt -97.45 -166.92 1.45 Allowed 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -105.95 179.45 4.26 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.24 -40.98 62.03 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-O 121.953 0.882 . . . . 0.0 109.164 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 t -67.54 -39.75 85.0 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 127.164 2.185 . . . . 0.0 111.362 -167.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.63 -41.19 92.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 124.973 1.309 . . . . 0.0 111.481 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.415 HD11 ' HB2' ' A' ' 45' ' ' LEU . 13.9 mt -85.94 -22.62 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 124.029 0.932 . . . . 0.0 109.564 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.53 -47.98 74.06 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.247 1.019 . . . . 0.0 109.55 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.66 -45.53 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.278 0 C-N-CA 128.015 2.526 . . . . 0.0 110.182 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.19 -45.43 91.09 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.459 1.504 . . . . 0.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.11 -39.06 82.9 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.987 0.915 . . . . 0.0 109.967 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.88 -23.19 62.25 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.627 1.171 . . . . 0.0 112.794 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -75.63 -39.32 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 109.666 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -73.31 -18.5 61.19 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 125.44 1.496 . . . . 0.0 112.15 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -87.98 -25.97 22.88 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 123.185 0.594 . . . . 0.0 109.638 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.2 29.67 0.83 Allowed 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.571 1.148 . . . . 0.0 111.946 -173.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -76.68 -46.36 25.99 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 170.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.407 HG12 ' H ' ' A' ' 62' ' ' LYS . 8.4 tt -79.6 -171.44 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 C-N-CA 125.536 1.534 . . . . 0.0 108.956 173.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' H ' HG12 ' A' ' 61' ' ' ILE . 49.3 mmtm -67.08 -49.07 66.27 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 125.18 1.392 . . . . 0.0 111.149 -173.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -87.58 178.39 6.79 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.93 -78.49 0.55 Allowed 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 104.208 -2.515 . . . . 0.0 104.208 169.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 t -116.57 0.13 12.58 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -74.76 139.42 43.35 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 125.433 1.493 . . . . 0.0 109.16 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.573 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.573 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 CA-C-O 118.303 -1.276 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.22 -10.53 14.97 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 123.213 2.609 . . . . 0.0 110.65 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.9 mmt -114.18 21.26 14.91 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.57 -158.07 0.84 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 m -94.97 167.21 11.54 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -146.24 150.85 36.59 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.93 134.25 34.96 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -122.27 141.65 35.08 Favored Pre-proline 0 N--CA 1.442 -0.867 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.23 90.86 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.554 2.836 . . . . 0.0 110.1 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -130.95 -110.76 0.25 Allowed 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 103.541 -2.763 . . . . 0.0 103.541 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m -79.92 -43.6 21.86 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 166.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.56 139.87 55.59 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 124.541 1.137 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -85.6 164.04 17.97 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.4 p -111.66 -176.11 2.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.65 67.25 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.624 0.769 . . . . 0.0 110.592 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -25.5 54.05 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.894 1.678 . . . . 0.0 111.713 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -86.58 -47.89 8.82 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -175.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -51.65 -50.29 60.63 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.141 1.776 . . . . 0.0 113.341 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -62.67 -36.4 82.75 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.871 1.269 . . . . 0.0 113.787 -170.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -74.65 -36.76 62.85 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 123.995 0.918 . . . . 0.0 110.901 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -70.95 -21.29 62.35 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.136 0.974 . . . . 0.0 112.619 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -79.54 -19.51 49.36 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.383 1.073 . . . . 0.0 110.326 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.98 -30.52 35.05 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.868 0.867 . . . . 0.0 109.581 172.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.14 -33.06 63.41 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.07 0.948 . . . . 0.0 109.976 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.39 -44.09 79.75 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.775 1.63 . . . . 0.0 109.773 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.36 -45.46 94.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.164 1.786 . . . . 0.0 112.252 -171.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -77.46 -70.15 0.49 Allowed 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -110.62 130.63 55.52 Favored 'General case' 0 N--CA 1.427 -1.608 0 C-N-CA 124.643 1.177 . . . . 0.0 109.062 -169.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -107.08 1.13 24.02 Favored 'General case' 0 CA--C 1.5 -0.949 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 161.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.14 75.28 10.35 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 126.393 1.877 . . . . 0.0 106.589 167.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD22 ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -97.42 120.26 37.46 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -172.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -100.45 174.17 6.23 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.02 -22.95 59.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 123.488 0.715 . . . . 0.0 110.39 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -86.39 -33.89 20.36 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 124.898 1.279 . . . . 0.0 109.825 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HE ' HD22 ' A' ' 31' ' ' LEU . 64.2 mtp85 -71.86 -47.26 54.22 Favored 'General case' 0 CA--C 1.49 -1.337 0 C-N-CA 124.626 1.17 . . . . 0.0 108.826 173.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -56.56 -38.8 72.45 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.533 1.533 . . . . 0.0 113.31 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.81 -9.52 58.08 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 122.898 0.479 . . . . 0.0 110.924 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -94.1 -20.93 19.45 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.11 -30.39 49.46 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.58 -25.2 56.83 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 124.454 1.102 . . . . 0.0 110.976 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -78.38 -33.89 48.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -84.66 -62.85 1.45 Allowed 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -160.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -74.57 -27.34 60.45 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 124.716 1.206 . . . . 0.0 108.219 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.77 44.39 3.14 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.02 -167.9 1.77 Allowed 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -114.31 -178.51 3.39 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 163.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.44 -40.67 64.02 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.216 1.006 . . . . 0.0 109.725 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -65.36 -29.35 70.06 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 127.422 2.289 . . . . 0.0 112.781 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -72.57 -34.13 67.25 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.485 1.114 . . . . 0.0 110.975 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mt -85.34 -21.83 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 123.516 0.727 . . . . 0.0 109.633 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.9 -37.85 88.91 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 124.358 1.063 . . . . 0.0 110.52 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.02 -48.3 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.273 0 C-N-CA 126.614 1.966 . . . . 0.0 108.81 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -59.5 -39.75 84.81 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.76 2.024 . . . . 0.0 113.791 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -73.98 -36.93 64.59 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 123.77 0.828 . . . . 0.0 110.078 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -77.18 -15.63 59.43 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.367 1.067 . . . . 0.0 111.968 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -74.1 -39.12 63.61 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.836 1.255 . . . . 0.0 109.038 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -35.17 79.16 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.279 1.031 . . . . 0.0 111.187 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -73.86 -23.7 59.64 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 122.928 0.491 . . . . 0.0 111.187 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.92 -31.74 51.26 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 124.563 1.145 . . . . 0.0 110.622 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.18 -26.17 61.96 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 124.911 1.284 . . . . 0.0 110.586 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.3 mt -83.0 131.29 34.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -112.55 -15.7 13.0 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 123.515 0.726 . . . . 0.0 110.713 -164.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -75.64 171.12 14.87 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 121.504 0.668 . . . . 0.0 110.991 -174.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.07 -42.69 10.35 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 124.245 1.018 . . . . 0.0 110.793 -169.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.5 m -67.93 -58.34 4.7 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 124.488 1.115 . . . . 0.0 109.585 -171.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -87.93 139.0 30.97 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.608 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.309 -174.245 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -79.24 -3.02 12.79 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.897 3.065 . . . . 0.0 110.702 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.1 mtp -94.6 166.97 11.76 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 124.512 1.125 . . . . 0.0 108.898 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.36 -37.67 11.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.763 1.225 . . . . 0.0 107.781 173.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 m -81.62 167.79 18.85 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.486 1.114 . . . . 0.0 111.115 -172.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -88.5 158.89 18.19 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 123.934 0.894 . . . . 0.0 109.239 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.41 75.75 0.94 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 103.59 -2.745 . . . . 0.0 103.59 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -153.4 94.0 3.05 Favored Pre-proline 0 N--CA 1.437 -1.1 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -74.41 112.24 3.5 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.765 2.31 . . . . 0.0 108.99 166.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -90.35 -141.32 0.16 Allowed 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.5 t -79.57 -38.9 33.05 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 171.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.93 -143.11 0.39 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 171.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -108.61 177.46 4.77 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.0 p -90.53 178.57 6.07 Favored 'General case' 0 C--N 1.359 0.981 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -35.41 70.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.225 0.61 . . . . 0.0 110.999 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -83.84 -25.29 30.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 124.313 1.045 . . . . 0.0 111.62 -175.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.49 -46.19 64.22 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.991 0.916 . . . . 0.0 109.138 176.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.07 -48.12 79.35 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.72 1.608 . . . . 0.0 110.973 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.6 -48.57 69.14 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.735 2.414 . . . . 0.0 113.492 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -63.85 -40.74 97.3 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 111.165 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.03 -21.5 59.93 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 118.569 -0.729 . . . . 0.0 112.611 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -70.63 -30.0 66.52 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.23 0.923 . . . . 0.0 109.555 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.11 45.26 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.209 1.004 . . . . 0.0 109.194 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -87.6 2.87 49.69 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.16 0.984 . . . . 0.0 110.66 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.88 -45.44 14.22 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -68.27 -44.99 74.32 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 125.186 1.394 . . . . 0.0 110.416 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 m -80.02 -68.7 0.65 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.847 0.859 . . . . 0.0 109.04 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -101.76 70.38 1.25 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 125.241 1.416 . . . . 0.0 108.968 -168.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.485 HH22 ' HE ' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -64.41 -63.69 1.07 Allowed 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 126.157 1.783 . . . . 0.0 110.975 -174.176 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -92.06 76.94 5.39 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.33 149.02 7.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 127.275 2.23 . . . . 0.0 111.287 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.38 173.93 7.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.62 -19.88 60.74 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.645 0.778 . . . . 0.0 110.305 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -91.3 -43.0 10.06 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.988 0.915 . . . . 0.0 109.587 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -63.88 -46.1 86.44 Favored 'General case' 0 CA--C 1.493 -1.248 0 C-N-CA 124.759 1.223 . . . . 0.0 110.751 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttp-105 -63.36 -38.67 92.06 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 124.611 1.164 . . . . 0.0 111.064 -176.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.22 -28.06 69.78 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 126.464 1.905 . . . . 0.0 112.889 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -81.28 -33.28 32.76 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.102 0.561 . . . . 0.0 109.908 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.73 -27.12 63.73 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.63 63.14 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 126.218 1.807 . . . . 0.0 111.554 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.01 -30.41 58.49 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 121.45 -0.781 . . . . 0.0 110.045 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -79.65 -68.84 0.63 Allowed 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 122.932 0.493 . . . . 0.0 112.065 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.33 -27.27 68.91 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 125.913 1.685 . . . . 0.0 109.956 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.48 36.36 5.92 Favored Glycine 0 CA--C 1.489 -1.566 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 173.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.76 -167.7 1.6 Allowed 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -112.34 179.64 3.93 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.412 -2.44 . . . . 0.0 104.412 170.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.59 -37.25 68.2 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -67.8 -32.98 73.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.942 2.097 . . . . 0.0 112.123 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -67.95 -44.72 76.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.742 1.217 . . . . 0.0 110.722 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.0 mt -81.33 -23.8 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 124.691 1.197 . . . . 0.0 109.511 -174.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -51.18 67.19 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.516 1.126 . . . . 0.0 108.945 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -43.78 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 C-N-CA 127.794 2.437 . . . . 0.0 110.784 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.23 -37.96 84.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.724 1.609 . . . . 0.0 112.307 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.86 -27.58 60.32 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.367 0.667 . . . . 0.0 110.608 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -79.69 -25.04 41.33 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.178 0.991 . . . . 0.0 111.347 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.32 -36.58 63.71 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.282 1.433 . . . . 0.0 109.695 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -81.58 15.36 2.14 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.308 1.443 . . . . 0.0 112.419 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HE ' HH22 ' A' ' 29' ' ' ARG . 95.2 mtt180 -100.7 -47.82 4.71 Favored 'General case' 0 CA--C 1.498 -1.047 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 165.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.19 34.15 0.95 Allowed 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.133 1.773 . . . . 0.0 112.063 -169.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -56.95 -47.03 81.67 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 125.859 1.664 . . . . 0.0 112.854 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mt -83.19 133.74 28.44 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 174.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -83.88 -34.72 24.51 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 124.266 1.026 . . . . 0.0 109.555 -173.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.71 -165.03 1.21 Allowed 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 125.729 1.612 . . . . 0.0 107.222 178.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.2 -80.68 0.16 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -99.97 142.42 31.48 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -87.52 174.1 8.69 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 123.678 0.791 . . . . 0.0 109.04 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.604 0 CA-C-O 117.956 -1.021 . . . . 0.0 108.422 178.518 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.24 -14.68 18.45 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.442 2.761 . . . . 0.0 110.254 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.01 173.86 6.13 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.83 110.4 18.8 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -110.69 -4.88 15.16 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.277 1.031 . . . . 0.0 108.308 174.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -166.01 -161.67 0.5 Allowed 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 102.617 -3.105 . . . . 0.0 102.617 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -92.63 136.72 32.99 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -112.42 154.35 44.57 Favored Pre-proline 0 N--CA 1.441 -0.905 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.59 158.74 47.1 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.908 2.405 . . . . 0.0 108.93 169.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -91.23 164.19 13.98 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.677 0.751 . . . . 0.0 109.112 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.8 m -95.32 67.65 2.97 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -171.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.51 109.87 20.02 Favored 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -106.29 172.63 6.7 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -104.21 -178.43 3.66 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 175.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.15 67.76 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 124.13 0.972 . . . . 0.0 111.607 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.13 -29.57 48.89 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.955 1.302 . . . . 0.0 110.757 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.6 -44.4 24.12 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 123.907 0.883 . . . . 0.0 109.673 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.77 -45.95 85.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.598 1.559 . . . . 0.0 111.776 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -51.57 -51.18 57.57 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.63 1.972 . . . . 0.0 113.118 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -45.87 92.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 126.67 1.988 . . . . 0.0 111.407 -178.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 mt -75.43 -28.25 59.28 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -82.05 -22.28 36.48 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 123.991 0.916 . . . . 0.0 109.741 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.28 -36.92 63.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.072 0.949 . . . . 0.0 110.056 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -91.49 -9.17 45.45 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -90.68 22.83 3.33 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-O 122.761 1.267 . . . . 0.0 109.718 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -89.64 -56.94 3.05 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -90.82 -63.74 1.23 Allowed 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -87.12 114.92 24.15 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.847 1.259 . . . . 0.0 110.643 -165.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -95.71 -50.68 4.83 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 170.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.61 91.83 7.02 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 108.991 -167.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.04 156.62 21.02 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 114.809 -1.087 . . . . 0.0 108.107 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -106.79 -176.11 2.99 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.95 -17.56 61.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.798 0.839 . . . . 0.0 110.366 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -93.25 -48.51 6.41 Favored 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 124.503 1.121 . . . . 0.0 110.128 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -62.68 -44.32 96.56 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 125.481 1.512 . . . . 0.0 111.23 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -65.72 -39.7 91.46 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.111 0.964 . . . . 0.0 110.729 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.41 -23.18 66.26 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 126.325 1.85 . . . . 0.0 112.974 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -78.77 -40.26 33.69 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 123.119 0.568 . . . . 0.0 109.78 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -32.91 73.81 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 123.882 0.873 . . . . 0.0 108.881 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.35 62.48 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.748 2.019 . . . . 0.0 111.718 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -72.78 -33.85 66.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 121.636 -0.665 . . . . 0.0 109.494 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.28 -58.39 3.31 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.06 -31.0 64.12 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 125.333 1.453 . . . . 0.0 109.432 -173.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.24 34.34 5.91 Favored Glycine 0 CA--C 1.49 -1.48 0 N-CA-C 106.787 -2.525 . . . . 0.0 106.787 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -90.93 -176.76 4.75 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -108.82 179.79 4.08 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.04 -36.96 67.02 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 124.41 1.084 . . . . 0.0 109.178 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -72.6 -24.48 61.09 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 126.747 2.019 . . . . 0.0 111.956 -173.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -73.94 -47.48 37.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.3 mt -80.48 -18.23 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 C-N-CA 124.76 1.224 . . . . 0.0 109.537 -174.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -61.32 -54.56 42.34 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.589 1.556 . . . . 0.0 109.829 174.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.46 -45.27 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 C-N-CA 127.531 2.333 . . . . 0.0 110.249 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -58.83 -39.85 82.46 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.366 1.466 . . . . 0.0 112.808 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -67.49 -38.88 85.01 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 118.889 0.768 . . . . 0.0 110.612 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -73.36 -22.39 60.29 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.375 1.07 . . . . 0.0 112.156 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -76.11 -41.62 49.64 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.561 1.545 . . . . 0.0 110.217 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -74.94 -22.8 58.37 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 125.002 1.321 . . . . 0.0 111.593 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 mtp-105 -87.74 -15.84 35.91 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 125.062 1.345 . . . . 0.0 109.931 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.46 -20.23 60.75 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.381 1.072 . . . . 0.0 111.104 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -70.68 -36.58 73.39 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.343 1.457 . . . . 0.0 108.976 172.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -92.6 -164.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 126.054 1.741 . . . . 0.0 107.072 177.227 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' H ' HG22 ' A' ' 61' ' ' ILE . 64.1 tttm -94.99 87.16 4.84 Favored 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -68.98 156.8 37.96 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 123.614 0.765 . . . . 0.0 111.341 172.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.81 -67.55 0.84 Allowed 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.5 t -82.06 144.11 31.05 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -82.92 166.59 18.77 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.233 1.013 . . . . 0.0 110.219 -173.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.593 0 CA-C-O 117.944 -1.027 . . . . 0.0 108.653 -179.621 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.41 -7.41 15.93 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.265 2.643 . . . . 0.0 110.591 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.8 mmt -113.24 23.78 12.95 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -145.09 178.05 8.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -124.36 -175.05 3.16 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -90.09 127.42 36.08 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -100.31 160.82 14.03 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -97.36 119.68 62.49 Favored Pre-proline 0 N--CA 1.441 -0.914 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -74.36 106.37 2.22 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.347 2.698 . . . . 0.0 109.35 169.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -97.85 -110.67 0.16 Allowed 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 m -117.84 58.56 0.8 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.96 109.85 22.19 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -144.07 170.85 15.15 Favored 'General case' 0 CA--C 1.5 -0.979 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 p -110.43 -178.44 3.5 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 169.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.88 69.02 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 124.066 0.946 . . . . 0.0 111.326 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -75.97 -25.2 55.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 125.451 1.5 . . . . 0.0 111.699 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -86.34 -42.48 13.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 123.422 0.689 . . . . 0.0 109.475 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.26 -49.88 75.57 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.29 1.436 . . . . 0.0 112.49 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.7 -33.47 76.03 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 124.92 1.288 . . . . 0.0 113.346 -171.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -75.69 -33.26 60.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.151 0.98 . . . . 0.0 110.688 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.5 mt -73.59 -20.44 60.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 123.766 0.826 . . . . 0.0 111.891 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.9 -29.53 66.75 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.823 0.738 . . . . 0.0 110.181 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.28 -30.9 33.89 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.258 1.023 . . . . 0.0 109.957 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.11 -5.7 56.24 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.112 0.965 . . . . 0.0 110.425 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.58 -40.73 95.81 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.932 1.693 . . . . 0.0 110.911 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.8 m -74.91 -69.06 0.49 Allowed 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 124.348 1.059 . . . . 0.0 108.192 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -106.45 106.09 16.45 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.065 1.346 . . . . 0.0 107.925 -174.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -93.76 -45.47 7.66 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.9 m-85 -83.91 78.6 9.7 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tp -85.45 146.36 26.99 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 125.638 1.575 . . . . 0.0 108.402 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.3 p -98.5 172.66 7.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.48 -22.05 60.26 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.418 0.687 . . . . 0.0 110.462 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -93.04 -24.24 18.39 Favored 'General case' 0 C--N 1.359 0.978 0 C-N-CA 124.783 1.233 . . . . 0.0 111.542 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -59.87 -36.42 76.87 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 126.178 1.791 . . . . 0.0 111.658 171.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -66.05 -27.57 68.19 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 125.648 1.579 . . . . 0.0 111.131 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.3 m -83.11 -29.71 28.5 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.9 -26.62 59.77 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.49 60.32 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.595 1.558 . . . . 0.0 111.142 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -84.29 -21.45 31.04 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 121.597 -0.69 . . . . 0.0 109.787 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -77.73 -68.39 0.63 Allowed 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.002 0.921 . . . . 0.0 112.78 -167.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -76.75 -27.05 55.21 Favored 'General case' 0 CA--C 1.494 -1.175 0 C-N-CA 125.659 1.584 . . . . 0.0 108.041 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.13 43.24 2.62 Favored Glycine 0 CA--C 1.488 -1.599 0 N-CA-C 107.357 -2.297 . . . . 0.0 107.357 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -97.96 -167.58 1.54 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.56 173.1 6.45 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.76 -33.41 62.3 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.406 0.682 . . . . 0.0 109.545 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -72.52 -23.65 61.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.541 1.936 . . . . 0.0 112.279 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -67.64 -47.87 68.32 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.534 1.134 . . . . 0.0 109.447 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mt -84.12 -16.52 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 126.223 1.809 . . . . 0.0 109.261 -168.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -66.06 -51.25 59.88 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 125.034 1.333 . . . . 0.0 109.718 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.91 -45.53 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 C-N-CA 127.818 2.447 . . . . 0.0 109.922 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -60.63 -40.55 92.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.411 1.485 . . . . 0.0 112.717 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.57 -36.31 65.57 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 123.359 0.664 . . . . 0.0 110.516 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -72.92 -21.4 60.9 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 118.818 0.735 . . . . 0.0 111.774 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -72.14 -44.72 62.68 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.685 1.194 . . . . 0.0 109.849 172.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -76.96 -17.69 58.72 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 124.536 1.134 . . . . 0.0 112.957 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -92.75 -7.93 45.2 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 124.806 1.243 . . . . 0.0 109.865 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.58 4.13 50.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.422 1.089 . . . . 0.0 110.889 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.16 29.9 1.78 Allowed 'General case' 0 C--N 1.358 0.952 0 C-N-CA 124.214 1.005 . . . . 0.0 110.916 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 62' ' ' LYS . 4.6 mt -104.66 -141.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.921 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' H ' HG22 ' A' ' 61' ' ' ILE . 24.3 pttm -92.69 -31.92 14.92 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 174.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -91.11 159.8 15.91 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.15 -70.79 0.79 Allowed 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -84.6 129.33 34.86 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -173.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -96.42 -71.92 0.66 Allowed 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.672 0 C-N-CA 125.497 1.519 . . . . 0.0 110.926 -179.16 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 CA-C-O 118.22 -1.322 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.55 -9.1 17.3 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.256 2.637 . . . . 0.0 111.196 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.7 mtt -104.08 -161.46 0.83 Allowed 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.96 -69.2 0.65 Allowed 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p -102.99 116.61 32.87 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -111.24 147.18 35.58 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.08 153.17 51.76 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -96.15 148.93 35.26 Favored Pre-proline 0 N--CA 1.441 -0.88 0 N-CA-C 104.621 -2.363 . . . . 0.0 104.621 166.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.4 89.24 1.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.106 2.537 . . . . 0.0 110.061 176.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -111.87 -70.19 0.82 Allowed 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 103.428 -2.805 . . . . 0.0 103.428 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -96.09 -25.52 15.85 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 165.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.87 175.34 10.49 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-O 122.208 1.004 . . . . 0.0 110.586 -166.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -96.42 169.97 9.55 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.61 -168.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -105.23 -175.79 2.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.9 68.26 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 124.282 1.033 . . . . 0.0 111.3 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -79.39 -26.73 41.9 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.073 1.349 . . . . 0.0 111.127 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -79.7 -42.57 24.39 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 123.614 0.766 . . . . 0.0 109.617 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.46 -41.87 90.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.254 1.422 . . . . 0.0 111.792 174.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.17 -51.01 65.7 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.461 1.904 . . . . 0.0 112.502 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.83 -49.27 77.22 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 126.8 2.04 . . . . 0.0 111.619 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.17 -20.68 47.84 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -78.79 -20.12 50.55 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.77 0.714 . . . . 0.0 109.918 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -32.76 39.22 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 109.038 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -75.32 -36.96 61.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.631 1.172 . . . . 0.0 110.361 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -67.2 -40.21 86.43 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.481 1.912 . . . . 0.0 109.864 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.49 -46.0 88.12 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 111.292 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -76.1 -70.26 0.45 Allowed 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -109.66 100.13 9.2 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.585 1.554 . . . . 0.0 107.862 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -76.51 -38.28 55.44 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -82.9 73.96 9.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 126.682 1.993 . . . . 0.0 106.789 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.64 133.65 34.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 129.291 3.036 . . . . 0.0 104.23 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -89.36 150.95 22.33 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.4 -7.33 51.24 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.15 0.58 . . . . 0.0 111.746 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -93.69 -39.81 10.58 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 124.735 1.214 . . . . 0.0 109.888 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -87.73 -18.4 29.54 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 125.567 1.547 . . . . 0.0 108.572 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -57.27 -30.72 64.92 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 124.731 1.212 . . . . 0.0 112.251 161.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -76.47 -15.4 59.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 123.296 0.638 . . . . 0.0 110.713 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -81.4 -34.29 31.71 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.102 0.961 . . . . 0.0 108.646 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.46 61.74 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 125.774 1.629 . . . . 0.0 110.91 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.8 -26.96 49.98 Favored 'General case' 0 C--N 1.361 1.095 0 O-C-N 121.791 -0.568 . . . . 0.0 110.409 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -77.16 -63.89 1.26 Allowed 'General case' 0 CA--C 1.492 -1.25 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -172.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.44 -29.08 59.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 125.581 1.552 . . . . 0.0 108.914 -172.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.17 34.16 5.99 Favored Glycine 0 CA--C 1.488 -1.61 0 N-CA-C 106.466 -2.653 . . . . 0.0 106.466 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -89.94 -173.77 4.0 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -111.24 -173.51 2.26 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 174.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.93 -45.03 52.97 Favored 'General case' 0 CA--C 1.494 -1.192 0 C-N-CA 123.958 0.903 . . . . 0.0 108.705 172.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -69.51 -30.38 68.22 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 126.747 2.019 . . . . 0.0 112.225 -165.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -68.32 -42.48 79.3 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.821 1.248 . . . . 0.0 110.436 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.6 mt -80.86 -28.82 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 C-N-CA 125.059 1.344 . . . . 0.0 109.775 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -62.65 -44.72 95.56 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.715 1.206 . . . . 0.0 111.309 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.21 -47.0 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 C-N-CA 126.423 1.889 . . . . 0.0 109.488 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -60.16 -36.15 76.9 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 125.724 1.609 . . . . 0.0 112.813 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.86 -43.39 75.49 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 119.494 1.043 . . . . 0.0 110.283 -177.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.05 -24.11 60.66 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.922 0.889 . . . . 0.0 111.98 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.12 -43.15 68.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.868 1.267 . . . . 0.0 110.071 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.37 -2.63 50.02 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.887 1.275 . . . . 0.0 112.826 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -83.44 -18.33 39.02 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 124.119 0.968 . . . . 0.0 109.462 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.94 -35.21 24.18 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -86.34 32.72 0.63 Allowed 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.16 1.384 . . . . 0.0 112.574 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.0 mt -87.88 -80.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.903 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -88.43 -44.23 10.89 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 124.663 1.185 . . . . 0.0 108.481 -174.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.02 -170.13 1.59 Allowed 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -171.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.39 -82.31 0.36 Allowed 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -115.74 -41.84 3.18 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.209 -2.145 . . . . 0.0 105.209 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -138.66 166.21 24.95 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 105.734 -1.951 . . . . 0.0 105.734 174.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.675 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.529 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.15 -9.1 16.57 Favored 'Trans proline' 0 CA--C 1.51 -0.675 0 C-N-CA 123.613 2.876 . . . . 0.0 110.341 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.1 ptp -110.41 -167.85 1.24 Allowed 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.04 -29.05 43.33 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 124.366 1.066 . . . . 0.0 111.056 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 t -76.77 133.26 39.48 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 123.996 0.918 . . . . 0.0 108.814 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -100.78 147.82 25.62 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -112.03 129.55 56.17 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -158.53 136.45 7.38 Favored Pre-proline 0 N--CA 1.436 -1.161 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.53 116.06 4.54 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.162 2.574 . . . . 0.0 108.843 165.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -86.73 176.29 7.82 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-O 121.476 0.655 . . . . 0.0 109.604 -170.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.4 t -78.29 -34.84 48.58 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.04 -138.05 0.32 Allowed 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -132.86 166.98 21.04 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -111.72 -174.07 2.38 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 171.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.74 68.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 123.775 0.83 . . . . 0.0 110.71 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -77.18 -27.43 53.63 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.526 1.53 . . . . 0.0 111.605 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.9 -42.83 17.25 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.64 -50.13 72.96 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.403 1.481 . . . . 0.0 111.119 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -46.24 -55.3 7.37 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 128.027 2.531 . . . . 0.0 113.554 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -48.95 70.21 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 127.714 2.406 . . . . 0.0 112.011 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.2 mt -76.34 -20.94 56.74 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.033 0.933 . . . . 0.0 113.311 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -84.3 -22.18 30.76 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 124.836 1.254 . . . . 0.0 109.658 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.68 63.48 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.86 -24.65 44.2 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.611 0.764 . . . . 0.0 111.721 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.67 -35.95 79.81 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.96 1.255 . . . . 0.0 109.718 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -71.91 -50.76 26.38 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.615 1.166 . . . . 0.0 111.094 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -81.37 -67.21 0.8 Allowed 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 123.098 0.559 . . . . 0.0 109.657 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -113.83 79.7 1.28 Allowed 'General case' 0 N--CA 1.432 -1.341 0 C-N-CA 125.729 1.611 . . . . 0.0 107.982 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -50.02 71.19 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.148 1.379 . . . . 0.0 109.562 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -79.58 92.89 5.37 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 125.76 1.624 . . . . 0.0 108.504 -169.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 mt -78.7 154.35 30.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.448 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.7 p -104.5 174.61 5.8 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 169.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.76 -23.0 59.67 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 118.186 0.448 . . . . 0.0 109.806 173.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -77.92 -45.45 24.0 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.34 1.456 . . . . 0.0 109.524 -175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.72 -47.37 81.38 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.84 1.256 . . . . 0.0 109.693 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.09 -34.11 75.69 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 125.339 1.456 . . . . 0.0 113.615 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.54 -4.87 58.97 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 122.332 -0.23 . . . . 0.0 110.72 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -85.57 -29.76 23.88 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -74.71 -24.48 58.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.284 1.033 . . . . 0.0 108.477 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.15 61.22 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.472 1.109 . . . . 0.0 110.93 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -76.26 -38.26 56.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.79 -69.2 0.38 Allowed 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.68 -29.0 62.05 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 125.362 1.465 . . . . 0.0 108.625 -173.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.95 33.01 4.18 Favored Glycine 0 CA--C 1.489 -1.572 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.97 -162.14 0.91 Allowed 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.32 -169.86 1.88 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -74.22 -44.45 53.13 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 169.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -59.49 -36.95 77.02 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 127.776 2.431 . . . . 0.0 113.746 -169.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -66.67 -39.03 87.99 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.184 1.394 . . . . 0.0 111.097 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mt -88.19 -19.72 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 C-N-CA 125.345 1.458 . . . . 0.0 109.86 -171.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.79 -45.63 81.69 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 120.972 -1.08 . . . . 0.0 109.209 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.85 -46.55 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 C-N-CA 127.071 2.148 . . . . 0.0 109.734 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -62.27 -41.5 98.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.387 1.475 . . . . 0.0 112.899 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.3 -25.96 59.9 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.632 0.651 . . . . 0.0 110.905 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.76 -28.52 44.83 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 111.299 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -72.0 -39.96 68.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.445 1.498 . . . . 0.0 110.591 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -74.3 -3.89 32.87 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 125.889 1.676 . . . . 0.0 114.016 -175.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -77.22 -37.04 54.15 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 124.638 1.175 . . . . 0.0 109.285 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.08 -94.83 0.07 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -109.68 -99.46 0.39 Allowed 'General case' 0 C--N 1.357 0.908 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 62' ' ' LYS . 4.2 mt -128.87 -144.61 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 N-CA-C 100.836 -3.765 . . . . 0.0 100.836 173.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.439 ' H ' HG22 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -84.1 -2.37 56.63 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.874 1.27 . . . . 0.0 110.089 174.349 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.59 149.7 38.21 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.769 1.228 . . . . 0.0 109.833 177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.29 71.97 0.53 Allowed 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 103.905 -2.628 . . . . 0.0 103.905 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.2 p -85.29 152.29 23.4 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 124.038 0.935 . . . . 0.0 109.615 -173.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -113.27 173.1 6.56 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.604 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.648 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.93 -10.05 18.11 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 123.485 2.79 . . . . 0.0 110.383 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -112.16 -173.82 2.33 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.31 -94.69 0.11 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 105.642 -1.985 . . . . 0.0 105.642 171.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -108.99 -166.45 1.11 Allowed 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 171.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -81.72 140.21 34.42 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -96.02 163.64 13.04 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -112.23 106.04 56.12 Favored Pre-proline 0 N--CA 1.441 -0.912 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.74 97.01 1.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.213 2.608 . . . . 0.0 109.337 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -99.02 161.71 13.47 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 t -92.8 -21.68 19.77 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.908 1.283 . . . . 0.0 108.117 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.02 172.53 11.5 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 124.956 1.302 . . . . 0.0 111.892 -165.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -82.19 157.31 24.02 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 124.198 0.999 . . . . 0.0 109.277 -171.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.8 p -115.72 -175.39 2.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 171.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.3 -27.92 63.75 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 123.935 0.894 . . . . 0.0 110.583 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.06 -25.42 59.82 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.881 1.672 . . . . 0.0 111.694 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -84.21 -49.7 8.57 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.96 -42.74 80.67 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.496 1.118 . . . . 0.0 113.197 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -68.1 -43.96 77.3 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.305 1.442 . . . . 0.0 109.937 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.91 -24.26 61.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 125.277 1.431 . . . . 0.0 112.016 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -81.31 -22.29 38.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.412 1.485 . . . . 0.0 110.234 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.33 33.13 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.526 0.73 . . . . 0.0 109.273 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -72.04 -34.4 68.76 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.503 1.121 . . . . 0.0 110.355 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.97 -31.72 7.91 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.133 2.573 . . . . 0.0 113.887 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -65.79 -59.73 3.6 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 124.285 1.034 . . . . 0.0 111.846 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.1 m -84.38 -65.98 0.95 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -105.22 97.12 7.01 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 126.077 1.751 . . . . 0.0 107.758 -170.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -92.25 -71.51 0.64 Allowed 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -91.82 84.76 5.44 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 173.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -58.86 178.42 0.12 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.296 2.238 . . . . 0.0 110.954 169.804 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.5 p -82.92 175.41 10.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 125.199 1.4 . . . . 0.0 107.86 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -73.74 -17.89 61.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.592 0.757 . . . . 0.0 110.524 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -94.57 -36.0 12.0 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 111.103 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -84.11 -33.7 24.28 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 124.103 0.961 . . . . 0.0 109.813 -174.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB2' HD23 ' A' ' 31' ' ' LEU . 54.9 ttp180 -63.85 -38.79 92.39 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.49 1.116 . . . . 0.0 109.159 174.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.64 -25.6 66.66 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 126.261 1.824 . . . . 0.0 111.773 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -80.66 -28.72 36.77 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 122.145 -0.347 . . . . 0.0 110.574 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -73.55 -29.55 62.51 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.99 -24.84 59.66 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 125.746 1.618 . . . . 0.0 111.8 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -79.68 -31.89 41.39 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 121.677 -0.639 . . . . 0.0 109.844 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.54 -58.26 2.42 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -165.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 HD12 ' A' ' 45' ' ' LEU . 72.8 mt -68.5 -31.83 71.38 Favored 'General case' 0 CA--C 1.498 -1.031 0 C-N-CA 124.268 1.027 . . . . 0.0 108.525 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 40.98 4.07 Favored Glycine 0 CA--C 1.491 -1.437 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.41 HD12 HD12 ' A' ' 43' ' ' LEU . 21.2 mt -93.46 -170.7 2.43 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -118.68 169.61 9.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 103.967 -2.605 . . . . 0.0 103.967 168.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.12 -30.93 65.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.869 0.868 . . . . 0.0 110.231 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 t -65.84 -39.24 90.62 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.8 2.04 . . . . 0.0 111.483 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.5 -32.32 66.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.133 0.973 . . . . 0.0 111.713 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -83.79 -28.66 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.325 1.05 . . . . 0.0 109.166 -174.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.01 -47.95 83.73 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.606 1.562 . . . . 0.0 109.744 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -46.14 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 C-N-CA 128.107 2.563 . . . . 0.0 110.751 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -58.08 -46.19 85.89 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.442 1.897 . . . . 0.0 113.06 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -76.65 -25.45 53.76 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.748 0.819 . . . . 0.0 110.739 -176.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -83.59 -19.07 36.19 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 124.726 1.21 . . . . 0.0 111.699 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -77.18 -40.77 44.09 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 124.895 1.278 . . . . 0.0 108.322 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.92 -35.58 81.0 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.413 1.085 . . . . 0.0 112.026 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -75.38 -19.55 59.48 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.986 0.914 . . . . 0.0 111.908 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.5 -30.37 52.98 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.929 0.892 . . . . 0.0 110.435 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -70.97 -35.47 72.15 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.656 1.182 . . . . 0.0 110.282 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.8 mt -74.49 135.3 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -96.63 83.92 3.56 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -78.7 -168.15 1.32 Allowed 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 125.028 1.331 . . . . 0.0 109.859 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.6 -77.21 0.13 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.956 0.902 . . . . 0.0 109.376 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.1 m -108.48 116.23 31.59 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -109.93 -63.64 1.35 Allowed 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.607 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.578 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 CA-C-O 118.332 -1.26 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.7 -6.77 15.46 Favored 'Trans proline' 0 CA--C 1.51 -0.689 0 C-N-CA 123.226 2.617 . . . . 0.0 110.895 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.9 mtt -97.32 163.99 12.66 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.17 144.36 25.7 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -112.55 163.06 14.95 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -92.93 166.51 12.35 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -116.03 25.22 10.86 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -94.31 155.21 40.07 Favored Pre-proline 0 N--CA 1.439 -0.993 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -78.84 86.41 1.69 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.271 2.647 . . . . 0.0 109.898 174.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -102.1 -142.0 0.35 Allowed 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -93.04 17.16 11.24 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 170.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.48 114.88 18.76 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 124.946 1.298 . . . . 0.0 107.8 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -100.35 174.59 6.05 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 -174.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.2 p -100.18 179.78 4.37 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.8 70.18 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 123.999 0.919 . . . . 0.0 111.274 -176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.89 -24.33 52.55 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.202 1.401 . . . . 0.0 111.409 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -80.42 -51.15 9.16 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.064 0.946 . . . . 0.0 109.571 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.37 -50.69 66.91 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 126.637 1.975 . . . . 0.0 113.014 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.52 -28.89 68.91 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.592 1.157 . . . . 0.0 113.182 -172.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -71.86 -35.94 69.97 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.359 1.464 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.0 mt -75.78 -28.19 58.31 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 123.925 0.89 . . . . 0.0 111.441 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -72.88 -29.16 62.95 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 123.728 0.811 . . . . 0.0 110.106 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.35 58.26 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.78 1.232 . . . . 0.0 110.13 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.79 -40.89 63.09 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.06 1.344 . . . . 0.0 109.782 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.8 -26.6 64.26 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.003 2.521 . . . . 0.0 112.493 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -58.47 -51.42 69.91 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.976 1.31 . . . . 0.0 112.246 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 m -86.37 -67.93 0.78 Allowed 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -115.36 115.68 27.0 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 125.351 1.461 . . . . 0.0 108.521 -167.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -86.3 -46.01 10.71 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -73.56 97.9 2.71 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 126.105 1.762 . . . . 0.0 109.72 -162.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.509 HD23 HH21 ' A' ' 35' ' ' ARG . 69.6 mt -75.87 149.3 37.83 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.081 177.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -101.59 -177.4 3.42 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.43 -22.33 61.11 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.605 0.762 . . . . 0.0 109.29 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -91.01 -48.37 7.03 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.033 0.933 . . . . 0.0 110.613 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.509 HH21 HD23 ' A' ' 31' ' ' LEU . 39.3 mtp85 -61.45 -46.08 91.57 Favored 'General case' 0 CA--C 1.494 -1.206 0 C-N-CA 125.402 1.481 . . . . 0.0 111.173 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -64.92 -39.83 94.12 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.214 1.406 . . . . 0.0 110.992 -174.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -66.5 -26.7 67.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 125.842 1.657 . . . . 0.0 111.959 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -83.02 -25.85 31.79 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.689 0.396 . . . . 0.0 110.089 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.86 -22.07 58.89 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 123.682 0.793 . . . . 0.0 109.025 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.13 65.34 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.469 1.108 . . . . 0.0 111.365 176.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -86.0 -20.39 28.96 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 121.483 -0.761 . . . . 0.0 109.506 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -76.09 -68.6 0.57 Allowed 'General case' 0 CA--C 1.493 -1.242 0 C-N-CA 124.009 0.924 . . . . 0.0 112.262 -167.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.1 mt -79.12 -27.87 42.9 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 125.454 1.501 . . . . 0.0 107.55 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.07 37.89 3.49 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 106.941 -2.464 . . . . 0.0 106.941 174.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.44 -156.75 0.58 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -117.41 -172.08 2.16 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 171.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.22 -43.64 56.32 Favored 'General case' 0 CA--C 1.496 -1.131 0 C-N-CA 124.383 1.073 . . . . 0.0 109.626 173.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -67.64 -33.81 75.7 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.092 2.157 . . . . 0.0 112.724 -166.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -72.19 -34.78 68.66 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.135 0.974 . . . . 0.0 111.343 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.05 -20.16 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 C-N-CA 125.005 1.322 . . . . 0.0 108.694 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -66.96 -43.64 82.59 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.855 1.262 . . . . 0.0 109.499 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.17 -45.1 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 128.291 2.636 . . . . 0.0 110.282 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.06 -40.09 88.26 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 125.9 1.68 . . . . 0.0 112.252 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.45 -25.25 50.44 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.357 0.663 . . . . 0.0 111.169 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.82 -18.08 38.86 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.273 1.029 . . . . 0.0 111.059 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -78.2 -37.3 45.91 Favored 'General case' 0 CA--C 1.503 -0.828 0 C-N-CA 124.847 1.259 . . . . 0.0 108.858 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -75.69 -11.48 60.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.627 1.571 . . . . 0.0 111.642 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -85.99 -38.27 18.09 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 168.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.45 33.8 0.9 Allowed 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 124.991 1.316 . . . . 0.0 111.982 -172.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -70.26 -54.2 13.71 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 170.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.1 tt -84.25 157.79 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.514 0 C-N-CA 125.57 1.548 . . . . 0.0 109.197 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -119.1 -65.77 1.14 Allowed 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -95.78 -138.0 0.24 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.4 -42.09 13.1 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.3 m -101.94 145.76 28.8 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 172.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -82.5 -90.08 0.08 Allowed 'General case' 0 C--N 1.357 0.913 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.657 0 C-N-CA 125.269 1.428 . . . . 0.0 110.926 -179.427 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.62 -10.58 18.65 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.366 2.711 . . . . 0.0 110.166 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.3 ptp -141.04 -145.05 0.17 Allowed 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 103.541 -2.763 . . . . 0.0 103.541 173.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.89 -50.43 56.31 Favored 'General case' 0 CA--C 1.502 -0.874 0 C-N-CA 124.545 1.138 . . . . 0.0 110.375 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -91.5 157.26 17.13 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.276 1.03 . . . . 0.0 108.728 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.35 151.92 25.35 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.04 114.61 21.74 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -155.96 157.4 31.31 Favored Pre-proline 0 N--CA 1.438 -1.043 0 N-CA-C 105.123 -2.177 . . . . 0.0 105.123 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -73.73 108.7 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.161 2.574 . . . . 0.0 109.686 172.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -95.48 177.91 5.66 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -79.58 -35.26 39.93 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.074 1.35 . . . . 0.0 108.693 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.55 -135.25 0.28 Allowed 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -82.85 161.36 21.95 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 176.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -101.29 -179.0 3.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 175.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.02 70.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 123.296 0.638 . . . . 0.0 111.166 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -79.05 -25.25 43.17 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 125.201 1.401 . . . . 0.0 111.724 -176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.17 -44.12 18.34 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -55.17 -53.93 49.71 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.686 1.595 . . . . 0.0 112.65 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.72 -29.51 69.52 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.191 1.397 . . . . 0.0 113.321 -171.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -66.04 -41.28 91.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.177 1.791 . . . . 0.0 110.102 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.08 -21.09 54.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 112.429 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.09 -32.71 69.4 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.95 -25.09 37.66 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.778 1.231 . . . . 0.0 110.631 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -79.36 -43.94 22.5 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.53 31.24 1.37 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.605 1.162 . . . . 0.0 110.903 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -92.66 -62.07 1.47 Allowed 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.254 1.821 . . . . 0.0 106.561 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -86.39 -59.67 2.21 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -83.2 110.26 17.91 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.025 1.33 . . . . 0.0 109.912 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -97.01 -23.09 16.44 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 168.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -85.08 65.48 9.26 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 126.75 2.02 . . . . 0.0 107.831 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HG ' ' HE ' ' A' ' 35' ' ' ARG . 5.0 tt -100.12 129.43 46.15 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.4 p -94.43 155.94 16.72 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -170.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.82 -11.19 60.3 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.779 1.232 . . . . 0.0 111.094 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.47 -48.15 10.62 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.549 ' HE ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -82.79 -22.25 34.3 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.926 -0.484 . . . . 0.0 110.86 -176.217 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.561 HH11 ' HA ' ' A' ' 51' ' ' LYS . 6.6 ttm180 -53.31 -23.25 8.74 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.13 1.372 . . . . 0.0 113.902 167.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -88.29 -9.51 52.61 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 121.852 -0.53 . . . . 0.0 109.913 -174.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 t -97.4 -22.94 16.32 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.85 -28.06 63.3 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 170.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.69 -28.49 62.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.57 1.148 . . . . 0.0 111.628 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.82 -32.87 62.08 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 121.335 -0.853 . . . . 0.0 110.654 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -85.56 -50.03 7.56 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -164.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -72.91 -29.1 62.87 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 35.57 6.56 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.4 mt -101.92 -165.0 1.14 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -106.1 -178.7 3.73 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.72 -39.88 66.59 Favored 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 123.857 0.863 . . . . 0.0 109.064 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.914 2.486 . . . . 0.0 112.837 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -68.59 -46.31 69.7 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.176 0.99 . . . . 0.0 110.289 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 mt -81.43 -18.12 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 109.362 -174.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.561 ' HA ' HH11 ' A' ' 36' ' ' ARG . 78.8 tttt -66.1 -47.77 73.12 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.659 1.184 . . . . 0.0 109.849 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -59.84 -45.05 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 128.098 2.559 . . . . 0.0 110.006 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -59.95 -42.05 93.22 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.63 1.572 . . . . 0.0 112.501 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -76.13 -29.9 57.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 123.444 0.698 . . . . 0.0 110.812 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.05 0.94 . . . . 0.0 111.505 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.97 -43.44 58.12 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 109.098 174.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.52 -37.37 85.81 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 124.651 1.18 . . . . 0.0 112.751 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -74.17 -20.26 60.27 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 125.442 1.497 . . . . 0.0 111.308 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.87 -29.67 44.6 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.004 0.921 . . . . 0.0 110.545 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -72.38 -56.07 6.06 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 123.911 0.885 . . . . 0.0 109.585 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.2 tt -74.47 153.22 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 C-N-CA 125.057 1.343 . . . . 0.0 109.381 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.14 -32.18 0.96 Allowed 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -93.4 -158.87 0.64 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.23 -41.13 8.83 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.581 HG23 ' H ' ' A' ' 66' ' ' GLN . 4.0 t -81.97 -88.23 0.09 Allowed 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 125.218 1.407 . . . . 0.0 109.171 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.581 ' H ' HG23 ' A' ' 65' ' ' THR . 20.6 pt20 -105.01 -179.96 4.1 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.211 1.004 . . . . 0.0 108.613 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.68 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 170.579 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -76.45 -18.7 15.53 Favored 'Trans proline' 0 CA--C 1.506 -0.905 0 C-N-CA 123.247 2.631 . . . . 0.0 111.796 -171.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.9 mmm -106.93 145.24 32.46 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.03 -120.49 0.03 OUTLIER 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 104.015 -2.587 . . . . 0.0 104.015 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -102.05 21.51 14.67 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 172.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -143.55 175.02 10.26 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -176.1 5.35 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -87.57 153.98 53.31 Favored Pre-proline 0 N--CA 1.441 -0.899 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.01 162.84 34.01 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.127 2.551 . . . . 0.0 108.495 167.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -132.18 -81.61 0.5 Allowed 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 104.675 -2.343 . . . . 0.0 104.675 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.2 m -91.52 -56.72 3.02 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.98 125.75 29.78 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 124.446 1.098 . . . . 0.0 109.543 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -99.36 -177.98 3.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.6 p -112.22 177.3 4.69 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 174.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.45 -24.01 61.14 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.471 1.108 . . . . 0.0 111.626 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -77.67 -25.66 49.72 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.556 1.542 . . . . 0.0 109.937 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -81.72 -52.71 6.87 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.36 -17.07 52.18 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 126.862 2.065 . . . . 0.0 113.896 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -59.06 -59.47 5.42 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.663 1.585 . . . . 0.0 110.405 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -62.94 -43.53 98.55 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 126.862 2.065 . . . . 0.0 112.722 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.0 mt -70.23 -36.93 74.84 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.1 0.96 . . . . 0.0 112.317 -169.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -77.72 -29.01 51.03 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.35 0.66 . . . . 0.0 110.093 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.11 46.15 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.143 0.977 . . . . 0.0 112.011 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -93.43 -33.51 13.8 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.56 -31.54 72.73 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.928 1.691 . . . . 0.0 111.886 -174.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.34 -51.97 67.25 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.1 m -85.9 -49.6 7.75 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.36 96.02 5.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.911 1.284 . . . . 0.0 108.222 -168.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.63 -56.24 4.88 Favored 'General case' 0 CA--C 1.491 -1.294 0 C-N-CA 122.95 0.5 . . . . 0.0 110.239 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -72.54 101.13 2.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 122.444 1.116 . . . . 0.0 110.39 -168.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.14 146.91 40.95 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.462 2.305 . . . . 0.0 108.425 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -97.83 155.67 16.94 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.13 -12.07 60.76 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.308 1.043 . . . . 0.0 110.824 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.74 -46.85 10.31 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -82.6 -27.47 31.48 Favored 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 121.818 -0.551 . . . . 0.0 111.422 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -51.2 -33.0 25.6 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 125.645 1.578 . . . . 0.0 112.94 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -85.39 -20.08 30.42 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.45 -170.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -88.33 -23.3 23.45 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.902 1.281 . . . . 0.0 108.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.58 -26.46 55.08 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -29.54 63.98 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.903 0.881 . . . . 0.0 111.026 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.72 -28.41 33.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.701 -0.624 . . . . 0.0 109.848 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.88 -68.29 0.73 Allowed 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 123.891 0.876 . . . . 0.0 112.421 -165.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -72.13 -28.86 63.54 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 126.301 1.84 . . . . 0.0 107.625 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.81 48.67 2.26 Favored Glycine 0 CA--C 1.486 -1.754 0 N-CA-C 106.643 -2.583 . . . . 0.0 106.643 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 mt -102.54 -169.78 1.71 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -122.39 175.82 6.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 168.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -71.88 -36.18 69.98 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.978 0.911 . . . . 0.0 109.83 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -68.98 -32.9 72.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 126.759 2.024 . . . . 0.0 111.727 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.64 -36.1 62.87 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.33 1.052 . . . . 0.0 110.977 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.9 mt -80.68 -28.02 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.892 1.277 . . . . 0.0 108.939 -174.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -55.6 -47.8 75.9 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.649 1.979 . . . . 0.0 110.369 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.31 -51.1 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 C-N-CA 127.639 2.376 . . . . 0.0 110.647 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -55.84 -49.21 73.93 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.258 1.823 . . . . 0.0 113.409 -170.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.32 -30.81 62.21 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.72 0.808 . . . . 0.0 111.883 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -72.79 -36.09 67.52 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 123.819 0.848 . . . . 0.0 111.365 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -69.12 -40.78 78.09 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.443 1.497 . . . . 0.0 110.933 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -65.32 -41.63 93.81 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 125.767 1.627 . . . . 0.0 113.135 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -70.02 -56.33 7.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.127 0.971 . . . . 0.0 111.111 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.53 40.88 1.06 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.726 1.61 . . . . 0.0 112.806 -171.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -56.16 -60.04 4.07 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 124.676 1.19 . . . . 0.0 111.631 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 tt -79.99 153.02 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 C-N-CA 124.3 1.04 . . . . 0.0 109.74 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' H ' ' H ' ' A' ' 63' ' ' LYS . 53.8 pttt -144.98 -26.06 0.49 Allowed 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' H ' ' H ' ' A' ' 62' ' ' LYS . 20.6 ptmt -91.85 -177.79 4.84 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 125.622 1.569 . . . . 0.0 108.903 -176.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.41 -64.27 1.18 Allowed 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 123.929 0.892 . . . . 0.0 109.729 -173.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -81.24 175.11 10.9 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.662 1.185 . . . . 0.0 108.474 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -86.06 -76.33 0.34 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.664 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.436 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 CA-C-O 118.554 -1.136 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -76.3 -54.81 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.926 2.418 . . . . 0.0 111.56 -170.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -154.46 -158.61 0.87 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -172.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.96 71.9 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.021 1.728 . . . . 0.0 111.816 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -84.41 139.6 32.12 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 173.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.12 118.3 27.59 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -115.02 -135.21 0.35 Allowed 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.01 139.99 85.61 Favored Pre-proline 0 N--CA 1.443 -0.794 0 CA-C-O 117.547 -1.216 . . . . 0.0 108.085 175.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.94 101.58 1.48 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.288 2.659 . . . . 0.0 110.223 -174.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -102.68 160.76 14.3 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 t -81.37 -23.79 37.46 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 124.139 0.976 . . . . 0.0 109.139 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.1 139.89 39.05 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 123.805 0.842 . . . . 0.0 109.84 -173.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -99.93 171.43 7.85 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p -114.62 179.19 4.02 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 170.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.51 -24.57 62.86 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.492 1.117 . . . . 0.0 111.248 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.81 -35.19 76.7 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 125.889 1.676 . . . . 0.0 110.998 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -85.81 -47.87 9.31 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 123.676 0.79 . . . . 0.0 108.997 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.5 -43.35 84.14 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.834 1.653 . . . . 0.0 112.437 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.49 -52.25 62.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.558 1.943 . . . . 0.0 112.806 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.55 -26.63 55.34 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.197 0.999 . . . . 0.0 111.646 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -72.63 -21.86 61.04 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.006 0.522 . . . . 0.0 111.592 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -75.57 -22.28 57.12 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 118.33 0.514 . . . . 0.0 110.103 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.98 37.6 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.971 0.908 . . . . 0.0 109.298 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -84.82 -4.42 59.07 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.411 1.084 . . . . 0.0 110.375 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -92.63 -35.84 13.31 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -74.36 -61.58 1.82 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.1 0.96 . . . . 0.0 110.174 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -88.3 -61.64 1.67 Allowed 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 123.652 0.781 . . . . 0.0 108.96 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -100.95 53.89 0.85 Allowed 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 125.052 1.341 . . . . 0.0 109.871 -164.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -69.72 -35.93 75.46 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 124.83 1.252 . . . . 0.0 112.087 -171.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -79.94 86.49 5.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 125.562 1.545 . . . . 0.0 109.29 -167.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 3.8 mp -79.65 156.08 27.77 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.762 1.625 . . . . 0.0 110.646 -174.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -120.99 -179.7 4.1 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 104.627 -2.361 . . . . 0.0 104.627 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.95 -31.22 66.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -83.16 -40.98 19.02 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.908 1.283 . . . . 0.0 110.411 -167.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.5 -21.49 19.43 Favored 'General case' 0 CA--C 1.482 -1.666 0 O-C-N 121.839 -0.538 . . . . 0.0 111.162 -172.171 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.73 -35.96 75.6 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 124.21 1.004 . . . . 0.0 109.736 166.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -93.2 -0.77 56.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.98 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.4 m -86.2 -25.41 25.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 167.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.5 -24.66 45.73 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 171.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.89 -25.4 58.91 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.76 -36.28 50.79 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.24 -68.8 0.58 Allowed 'General case' 0 CA--C 1.493 -1.23 0 C-N-CA 124.935 1.294 . . . . 0.0 113.389 -164.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -73.46 -25.54 60.53 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 126.064 1.745 . . . . 0.0 108.346 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.1 47.1 2.7 Favored Glycine 0 CA--C 1.488 -1.649 0 N-CA-C 107.013 -2.435 . . . . 0.0 107.013 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.74 -165.57 1.22 Allowed 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -123.78 178.71 5.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.48 -32.52 64.36 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.015 0.926 . . . . 0.0 109.538 173.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -70.03 -31.53 69.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 127.381 2.273 . . . . 0.0 111.146 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -71.53 -47.59 54.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.807 1.243 . . . . 0.0 110.721 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.77 -30.61 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 124.095 0.958 . . . . 0.0 110.601 -163.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -63.65 -43.38 96.92 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.019 -1.051 . . . . 0.0 112.083 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.84 -46.0 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 C-N-CA 128.034 2.533 . . . . 0.0 110.488 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -59.77 -42.19 92.76 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.855 1.662 . . . . 0.0 112.105 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -75.3 -28.71 59.81 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 123.543 0.737 . . . . 0.0 110.862 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -78.18 -22.11 49.15 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.632 0.773 . . . . 0.0 111.515 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.72 -43.23 56.1 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.68 1.192 . . . . 0.0 109.346 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -32.56 72.91 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 126.254 1.822 . . . . 0.0 112.326 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -78.86 -22.78 45.56 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 123.139 0.575 . . . . 0.0 110.473 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.69 6.83 32.91 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.899 0.879 . . . . 0.0 111.567 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.64 -7.74 57.94 Favored 'General case' 0 C--N 1.358 0.955 0 O-C-N 121.374 -0.829 . . . . 0.0 110.599 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.9 tt -72.81 160.92 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 C-N-CA 125.738 1.615 . . . . 0.0 107.902 167.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.73 83.64 5.32 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -176.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -114.49 -155.11 0.56 Allowed 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 170.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.52 -63.96 1.18 Allowed 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.169 0.988 . . . . 0.0 109.704 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.0 m -91.34 115.74 28.28 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -116.41 153.74 31.52 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.617 0 C-N-CA 126.086 1.754 . . . . 0.0 111.707 -179.604 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -118.91 -175.18 2.85 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.48 -27.21 64.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 -170.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -86.47 -21.51 26.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 123.985 0.914 . . . . 0.0 110.634 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -81.21 -48.46 12.04 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.06 -39.76 72.52 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.592 1.957 . . . . 0.0 112.741 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -55.94 -47.65 77.17 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.25 1.82 . . . . 0.0 111.882 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.472 HH12 ' HB2' ' A' ' 42' ' ' GLU . 71.8 ttt180 -61.27 -44.43 97.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.941 1.696 . . . . 0.0 111.551 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 mt -71.11 -29.14 64.88 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.396 0.678 . . . . 0.0 112.716 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmp? -74.83 -28.28 60.62 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 124.256 1.022 . . . . 0.0 110.565 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.18 -33.63 63.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.227 1.011 . . . . 0.0 110.15 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.34 -45.03 49.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.366 1.067 . . . . 0.0 109.663 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.87 -35.74 73.47 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 127.616 2.366 . . . . 0.0 111.738 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -62.07 -43.72 98.22 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.53 1.532 . . . . 0.0 111.58 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 m -80.33 -71.81 0.44 Allowed 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -112.98 114.93 27.6 Favored 'General case' 0 N--CA 1.427 -1.612 0 C-N-CA 126.001 1.72 . . . . 0.0 107.69 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -78.33 -21.74 49.11 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -79.27 89.15 4.91 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 125.899 1.68 . . . . 0.0 108.535 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 54' ' ' PHE . 51.9 tp -82.9 142.2 31.64 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -107.92 163.83 12.79 Favored 'General case' 0 CA--C 1.489 -1.383 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.67 -18.2 61.58 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 123.301 0.64 . . . . 0.0 111.346 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -90.17 -41.11 11.81 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 124.306 1.042 . . . . 0.0 109.984 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -77.89 -34.18 51.64 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.345 0.658 . . . . 0.0 109.684 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HE ' HD23 ' A' ' 31' ' ' LEU . 41.7 ttm180 -56.11 -32.72 64.45 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.011 1.724 . . . . 0.0 112.733 172.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -69.79 -27.21 64.71 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 125.555 1.542 . . . . 0.0 111.54 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.6 m -88.11 -28.6 21.19 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 109.849 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.69 -29.55 62.36 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.25 64.75 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 125.5 1.52 . . . . 0.0 110.686 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -75.96 -41.41 51.6 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HB2' HH12 ' A' ' 20' ' ' ARG . 55.0 mm-40 -93.99 -39.01 10.87 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -161.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.92 -32.08 67.01 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.23 34.38 6.76 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -100.12 -158.57 0.68 Allowed 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.609 HD22 HE21 ' A' ' 49' ' ' GLN . 71.6 m-80 -114.56 179.81 3.85 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 165.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.43 -40.62 66.94 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 123.878 0.871 . . . . 0.0 109.922 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -64.34 -26.59 68.54 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 126.632 1.973 . . . . 0.0 113.433 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.609 HE21 HD22 ' A' ' 46' ' ' ASN . 19.8 mm-40 -73.82 -39.39 64.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.206 1.003 . . . . 0.0 110.655 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -88.02 -19.84 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 125.51 1.524 . . . . 0.0 109.182 -174.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.39 -49.12 72.83 Favored 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 125.177 1.391 . . . . 0.0 108.988 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.79 -44.57 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 128.153 2.581 . . . . 0.0 110.765 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -57.59 -47.06 83.16 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.561 1.545 . . . . 0.0 111.441 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 31' ' ' LEU . 3.3 m-85 -72.08 -33.0 67.57 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.074 0.95 . . . . 0.0 110.965 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.59 -30.92 64.8 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.15 0.98 . . . . 0.0 111.967 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -74.83 -42.38 58.11 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 125.364 1.466 . . . . 0.0 109.81 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt . . . . . 0 CA--C 1.501 -0.938 0 C-N-CA 125.894 1.678 . . . . 0.0 112.542 -176.848 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.436 -1.136 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.5 p -107.09 178.14 4.65 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 169.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.4 66.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 123.958 0.903 . . . . 0.0 111.291 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -73.99 -29.83 62.17 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.409 1.484 . . . . 0.0 111.225 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -79.49 -49.43 12.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.707 0.803 . . . . 0.0 109.208 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -55.31 -39.98 70.57 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.627 1.971 . . . . 0.0 112.944 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -54.47 -49.5 69.96 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 126.906 2.082 . . . . 0.0 111.919 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.38 -42.68 96.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.341 1.456 . . . . 0.0 111.869 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.07 -27.86 67.71 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.502 1.121 . . . . 0.0 113.45 -174.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -75.61 -29.72 59.31 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.852 1.261 . . . . 0.0 110.199 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -27.78 38.32 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.191 0.997 . . . . 0.0 109.847 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -88.56 -14.66 37.11 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 124.414 1.086 . . . . 0.0 111.447 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -79.42 -36.76 38.5 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -64.76 -44.32 90.45 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.927 1.691 . . . . 0.0 110.639 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -76.61 -70.0 0.48 Allowed 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 124.217 1.007 . . . . 0.0 108.468 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.76 98.7 10.95 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 124.909 1.284 . . . . 0.0 108.326 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -83.03 -38.63 22.32 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -85.46 66.46 9.69 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 126.848 2.059 . . . . 0.0 106.676 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.92 121.2 24.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.85 2.06 . . . . 0.0 105.755 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -94.17 167.45 11.55 Favored 'General case' 0 CA--C 1.495 -1.147 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.95 -17.0 60.62 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 123.556 0.742 . . . . 0.0 111.416 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -86.77 -35.57 19.09 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.126 1.37 . . . . 0.0 108.833 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -80.04 -38.3 32.21 Favored 'General case' 0 CA--C 1.488 -1.436 0 C-N-CA 124.952 1.301 . . . . 0.0 109.485 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -61.5 -34.28 75.23 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.661 1.184 . . . . 0.0 111.911 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -87.35 -4.88 59.05 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -90.8 -21.68 21.39 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.93 -25.82 48.59 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 171.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -26.88 60.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.63 0.772 . . . . 0.0 110.832 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -74.55 -38.39 62.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 O-C-N 121.876 -0.515 . . . . 0.0 109.745 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.93 -45.81 7.78 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -164.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.92 -29.54 65.61 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.6 37.54 6.48 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 174.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 mt -104.24 -163.81 1.0 Allowed 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.44 -177.95 3.46 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 171.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.18 -39.69 65.41 Favored 'General case' 0 CA--C 1.496 -1.123 0 C-N-CA 124.019 0.927 . . . . 0.0 109.165 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -69.58 -27.79 65.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.282 2.233 . . . . 0.0 112.752 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -70.08 -46.09 65.63 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 124.058 0.943 . . . . 0.0 109.962 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.84 -19.48 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 C-N-CA 125.68 1.592 . . . . 0.0 109.157 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -64.26 -48.48 75.59 Favored 'General case' 0 CA--C 1.494 -1.185 0 C-N-CA 125.91 1.684 . . . . 0.0 110.167 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.06 -43.41 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 C-N-CA 128.385 2.674 . . . . 0.0 110.442 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -62.75 -43.57 98.45 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 124.723 1.209 . . . . 0.0 111.888 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -75.31 -25.68 58.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.291 0.636 . . . . 0.0 110.594 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -70.15 -27.59 64.67 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.095 0.958 . . . . 0.0 111.194 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.88 -47.3 53.78 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.356 1.062 . . . . 0.0 109.579 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt . . . . . 0 C--N 1.358 0.939 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -176.007 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 CA--C 1.503 -0.841 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 p -119.16 -171.19 2.06 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 163.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.68 -33.41 66.5 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 123.53 0.732 . . . . 0.0 110.625 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -77.45 -24.46 50.29 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.468 1.507 . . . . 0.0 111.761 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.15 -41.73 27.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 123.289 0.636 . . . . 0.0 109.528 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD22 ' HE1' ' A' ' 53' ' ' TRP . 81.1 mt -63.84 -42.67 97.55 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.74 1.216 . . . . 0.0 113.469 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -71.27 -28.78 64.38 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.682 0.793 . . . . 0.0 112.316 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -72.48 -32.54 66.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.035 1.334 . . . . 0.0 110.445 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.62 -22.9 58.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.381 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -78.34 -23.25 47.06 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.082 0.856 . . . . 0.0 109.854 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.23 -22.33 41.89 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.128 0.971 . . . . 0.0 110.015 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.53 -37.59 22.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.382 1.073 . . . . 0.0 109.126 172.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.34 -30.71 68.8 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.684 1.594 . . . . 0.0 112.48 -168.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.77 -40.37 96.52 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 m -92.03 -47.88 7.04 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -118.86 111.05 17.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.82 -163.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.43 -74.2 0.36 Allowed 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 167.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.27 99.53 7.12 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.103 1.361 . . . . 0.0 108.762 -166.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.424 HD22 ' HE ' ' A' ' 35' ' ' ARG . 81.5 mt -74.71 169.02 18.68 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.583 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.2 p -94.06 178.15 5.74 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.4 -29.61 63.9 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -82.76 -40.11 20.94 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 124.881 1.272 . . . . 0.0 111.314 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HE ' HD22 ' A' ' 31' ' ' LEU . 57.5 mtp85 -68.11 -47.43 68.2 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -64.56 -39.61 94.07 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.745 1.218 . . . . 0.0 112.165 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.68 -8.32 59.14 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 122.863 0.465 . . . . 0.0 111.788 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 t -92.64 -18.84 22.52 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.23 -23.17 43.92 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.27 60.66 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.062 0.945 . . . . 0.0 110.882 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -82.1 -28.23 32.42 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 121.822 -0.549 . . . . 0.0 110.027 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -81.63 -69.66 0.6 Allowed 'General case' 0 CA--C 1.491 -1.298 0 C-N-CA 123.892 0.877 . . . . 0.0 112.234 -164.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.18 -26.02 58.73 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 126.299 1.84 . . . . 0.0 107.963 -177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.76 42.72 2.82 Favored Glycine 0 CA--C 1.487 -1.707 0 N-CA-C 107.283 -2.327 . . . . 0.0 107.283 171.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.9 -164.72 1.15 Allowed 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -115.11 -174.15 2.44 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 103.102 -2.925 . . . . 0.0 103.102 164.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.31 -41.17 57.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -64.61 -29.84 70.86 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 127.53 2.332 . . . . 0.0 113.264 -173.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -69.46 -35.75 75.92 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.232 1.013 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.91 -22.46 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 123.388 0.675 . . . . 0.0 109.487 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.96 -32.53 69.42 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.792 0.837 . . . . 0.0 110.699 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.37 -42.75 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 C-N-CA 126.799 2.04 . . . . 0.0 109.407 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.4 ' HE1' HD22 ' A' ' 18' ' ' LEU . 69.2 t90 -63.04 -30.67 71.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.927 1.691 . . . . 0.0 112.114 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -80.36 -28.43 38.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.079 0.952 . . . . 0.0 110.228 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.24 -26.96 62.22 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 118.97 0.804 . . . . 0.0 110.677 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -75.78 -57.59 3.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 124.81 1.244 . . . . 0.0 110.121 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.355 0.848 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -172.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.5 p -103.01 -179.08 3.85 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.48 67.61 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.257 1.023 . . . . 0.0 110.97 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.27 -29.52 60.16 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.416 1.486 . . . . 0.0 111.19 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.37 -49.04 12.03 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 123.454 0.702 . . . . 0.0 109.277 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -51.65 -44.61 63.06 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.242 1.817 . . . . 0.0 112.835 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -53.84 -49.15 69.06 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.831 2.052 . . . . 0.0 112.72 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -39.87 95.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.402 1.881 . . . . 0.0 111.787 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.8 -29.53 62.22 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 124.63 1.172 . . . . 0.0 111.851 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -82.24 -21.89 36.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.976 1.31 . . . . 0.0 110.035 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.59 -34.56 35.13 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 109.075 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.95 -54.72 7.31 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.85 1.26 . . . . 0.0 110.259 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -73.9 -25.3 59.93 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.693 1.197 . . . . 0.0 111.873 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -71.12 -48.17 53.76 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.851 0.86 . . . . 0.0 110.703 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.4 m -73.05 -69.8 0.4 Allowed 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.268 1.027 . . . . 0.0 108.52 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -100.55 112.72 25.14 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 105.804 -1.925 . . . . 0.0 105.804 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.41 20.13 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -68.95 97.56 0.86 Allowed 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.612 1.565 . . . . 0.0 110.735 -166.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.613 HD12 ' HE ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -94.62 124.88 38.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 112.858 -1.974 . . . . 0.0 106.372 -171.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -101.33 178.41 4.65 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.93 -31.84 64.88 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.664 1.186 . . . . 0.0 108.552 173.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -76.92 -38.53 53.26 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 125.523 1.529 . . . . 0.0 110.364 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.439 HH21 HD22 ' A' ' 31' ' ' LEU . 24.5 mtp85 -72.65 -43.7 62.84 Favored 'General case' 0 CA--C 1.489 -1.367 0 C-N-CA 124.889 1.276 . . . . 0.0 109.446 175.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.613 ' HE ' HD12 ' A' ' 31' ' ' LEU . 27.8 ttm180 -59.8 -34.0 72.46 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -88.1 -5.64 58.35 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 122.534 0.334 . . . . 0.0 110.826 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.1 m -89.69 -24.53 21.56 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.77 -29.94 56.3 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.24 64.26 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 123.666 0.786 . . . . 0.0 110.37 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -72.81 -40.92 65.44 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.372 0.669 . . . . 0.0 109.8 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -92.51 -45.33 8.18 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -162.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -72.27 -30.39 64.8 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.18 39.09 6.15 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 107.833 -2.107 . . . . 0.0 107.833 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -105.7 -169.01 1.52 Allowed 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.433 ' H ' HE21 ' A' ' 49' ' ' GLN . 72.1 m-80 -107.53 -179.3 3.87 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 170.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.47 -34.12 58.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 123.781 0.832 . . . . 0.0 109.277 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -70.31 -30.24 67.17 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.432 2.293 . . . . 0.0 112.894 -169.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.433 HE21 ' H ' ' A' ' 46' ' ' ASN . 34.6 mt-30 -82.86 -31.52 27.93 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.326 0.65 . . . . 0.0 110.115 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.459 HG22 ' CE2' ' A' ' 54' ' ' PHE . 6.9 mt -84.51 -15.21 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -48.43 81.21 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.879 1.672 . . . . 0.0 108.763 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.31 -46.64 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.158 0 C-N-CA 128.266 2.626 . . . . 0.0 109.95 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.67 -40.03 90.59 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.527 1.131 . . . . 0.0 112.927 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 50' ' ' ILE . 26.0 m-85 -74.47 -31.95 62.4 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 124.03 0.932 . . . . 0.0 111.11 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -71.71 -25.74 62.2 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 111.379 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.7 -44.59 66.61 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.716 1.206 . . . . 0.0 110.091 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt . . . . . 0 C--N 1.359 0.981 0 C-N-CA 124.59 1.156 . . . . 0.0 112.842 179.605 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.436 -1.132 0 CA-C-O 122.219 1.009 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.7 p -113.2 -176.88 3.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 169.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.37 61.9 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.369 0.668 . . . . 0.0 110.988 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.01 -27.05 61.55 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.955 1.702 . . . . 0.0 111.509 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -87.77 -45.64 10.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 123.653 0.781 . . . . 0.0 109.369 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.84 -40.58 93.35 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.937 1.695 . . . . 0.0 113.287 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -68.08 -29.24 68.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 124.039 0.935 . . . . 0.0 111.908 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -73.87 -35.01 64.69 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.548 1.539 . . . . 0.0 110.622 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.6 mt -74.73 -23.01 58.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 124.046 0.938 . . . . 0.0 111.77 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -82.15 -21.69 36.46 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.416 1.086 . . . . 0.0 109.536 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -30.59 44.69 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.144 0.978 . . . . 0.0 109.752 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -39.35 63.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 124.149 0.979 . . . . 0.0 109.263 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -69.11 -29.9 68.06 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 125.716 1.606 . . . . 0.0 110.55 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.59 -46.41 69.44 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.448 1.099 . . . . 0.0 110.817 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.9 m -76.88 -69.72 0.5 Allowed 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 124.068 0.947 . . . . 0.0 108.738 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.47 106.36 18.63 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.18 -59.08 2.9 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 123.895 0.878 . . . . 0.0 110.237 -170.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.45 71.05 3.15 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.01 138.28 58.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 128.275 2.63 . . . . 0.0 108.726 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.1 p -92.08 167.53 12.01 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.486 1.115 . . . . 0.0 108.71 -166.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -72.57 -21.65 61.11 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 125.48 1.512 . . . . 0.0 110.052 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.04 -44.26 14.3 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.914 1.286 . . . . 0.0 109.941 -173.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.6 mtp-105 -78.09 -24.11 47.69 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 123.902 0.881 . . . . 0.0 109.695 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -57.79 -20.87 38.58 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -79.19 -16.66 56.24 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 121.423 -0.798 . . . . 0.0 111.188 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 m -87.65 -27.87 22.2 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.79 -21.09 57.71 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 123.529 0.731 . . . . 0.0 109.439 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.21 -26.91 62.22 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.203 1.001 . . . . 0.0 110.764 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -86.53 -22.44 26.36 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.712 -0.618 . . . . 0.0 109.624 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.09 -68.43 0.58 Allowed 'General case' 0 CA--C 1.492 -1.254 0 C-N-CA 124.607 1.163 . . . . 0.0 112.438 -166.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -77.31 -27.21 52.82 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.178 1.391 . . . . 0.0 107.601 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.46 37.38 4.04 Favored Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.43 -158.16 0.65 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -110.64 -167.82 1.23 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -74.58 -45.95 41.9 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 m -56.03 -38.75 70.96 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 129.091 2.956 . . . . 0.0 115.231 -168.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -70.64 -41.51 72.06 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 124.392 1.077 . . . . 0.0 110.492 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 mt -85.6 -14.31 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 126.117 1.767 . . . . 0.0 108.398 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -70.91 -42.63 69.67 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 125.182 1.393 . . . . 0.0 107.963 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.93 -46.61 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 C-N-CA 127.182 2.193 . . . . 0.0 109.538 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -58.02 -46.16 85.74 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.146 1.378 . . . . 0.0 112.377 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -79.15 -24.87 43.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 123.027 0.531 . . . . 0.0 111.148 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.03 -24.66 63.31 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.622 1.101 . . . . 0.0 111.278 176.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -74.83 -56.03 5.2 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 124.077 0.951 . . . . 0.0 109.066 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.356 0.887 0 C-N-CA 124.998 1.319 . . . . 0.0 113.996 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 N--CA 1.437 -1.089 0 CA-C-O 121.451 0.643 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.0 p -115.16 -171.87 2.03 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 104.318 -2.475 . . . . 0.0 104.318 167.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.43 63.24 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 123.929 0.892 . . . . 0.0 110.905 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -79.0 -23.56 44.31 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 125.595 1.558 . . . . 0.0 111.46 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.62 -47.49 11.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.3 -25.73 62.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.063 1.745 . . . . 0.0 113.385 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -57.54 -52.57 64.87 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.502 1.521 . . . . 0.0 111.477 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -62.14 -47.29 85.22 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.932 1.693 . . . . 0.0 111.33 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -69.73 -33.08 71.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 124.207 1.003 . . . . 0.0 113.615 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.89 -24.1 28.64 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 124.308 1.043 . . . . 0.0 109.716 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.58 67.58 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 123.926 0.891 . . . . 0.0 109.967 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -90.55 -12.25 37.66 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -71.75 -33.29 68.54 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.013 0.824 . . . . 0.0 109.114 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.3 -42.0 90.3 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.865 1.666 . . . . 0.0 111.516 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.9 m -81.39 -72.18 0.44 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -101.03 131.25 47.01 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 125.635 1.574 . . . . 0.0 109.126 -167.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -95.58 -60.76 1.59 Allowed 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 167.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -79.55 100.36 7.73 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.844 0.857 . . . . 0.0 109.787 -165.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.46 161.34 26.14 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.222 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.4 p -101.69 176.8 5.1 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.35 -25.89 60.79 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -86.77 -35.33 19.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.701 1.201 . . . . 0.0 110.984 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -66.81 -47.5 71.85 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 124.573 1.149 . . . . 0.0 108.544 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -58.52 -36.07 73.27 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.023 1.729 . . . . 0.0 112.952 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.54 -27.31 68.36 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 126.072 1.749 . . . . 0.0 112.132 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -83.61 -34.39 25.13 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.25 -26.56 65.74 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 124.554 1.141 . . . . 0.0 109.698 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.92 63.68 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.717 1.607 . . . . 0.0 111.242 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -76.32 -30.47 57.7 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 121.6 -0.688 . . . . 0.0 110.226 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -68.27 -71.13 0.22 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 mt -77.12 -27.62 54.07 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 125.532 1.533 . . . . 0.0 108.617 -172.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.52 41.25 2.22 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -98.19 -169.33 1.79 Allowed 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -108.41 178.0 4.63 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -73.73 -36.97 65.25 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -65.66 -34.61 78.62 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.943 2.097 . . . . 0.0 111.706 -174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -66.79 -44.95 79.92 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.87 1.268 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.1 mt -86.22 -16.3 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 C-N-CA 124.54 1.136 . . . . 0.0 109.573 -171.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -67.66 -51.96 43.7 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 124.324 1.05 . . . . 0.0 108.976 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.61 -44.9 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.245 0 C-N-CA 128.088 2.555 . . . . 0.0 110.317 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -61.56 -43.99 97.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.177 1.391 . . . . 0.0 112.071 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.89 -34.56 71.69 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.642 0.655 . . . . 0.0 110.398 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.42 -24.36 63.82 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.039 0.935 . . . . 0.0 112.187 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.05 -44.92 52.52 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.937 1.295 . . . . 0.0 109.789 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--N 1.356 0.87 0 C-N-CA 124.806 1.242 . . . . 0.0 112.379 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.6 p -104.11 -179.19 3.88 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.27 68.81 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.484 1.113 . . . . 0.0 111.337 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.31 -29.97 60.21 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.45 1.5 . . . . 0.0 110.97 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -78.23 -52.1 9.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.497 1.119 . . . . 0.0 109.487 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -50.48 -47.27 57.22 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.623 1.969 . . . . 0.0 112.916 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -44.68 -59.54 2.44 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.79 2.436 . . . . 0.0 113.439 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HE ' HD21 ' A' ' 43' ' ' LEU . 66.9 ttp85 -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.557 1.543 . . . . 0.0 112.3 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.02 -30.81 71.41 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.397 1.079 . . . . 0.0 113.029 -175.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -74.91 -31.14 61.48 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.322 1.049 . . . . 0.0 110.323 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.13 32.24 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.123 0.969 . . . . 0.0 110.399 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -83.1 -36.87 24.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.192 0.997 . . . . 0.0 110.694 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -76.97 -18.87 57.94 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.106 0.962 . . . . 0.0 110.653 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -66.37 -41.29 89.68 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 109.921 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 m -76.68 -66.26 0.83 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 124.678 1.191 . . . . 0.0 108.459 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.54 91.22 8.72 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.987 1.715 . . . . 0.0 108.077 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -82.43 -48.15 11.43 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 124.594 1.158 . . . . 0.0 108.303 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -86.12 71.68 10.52 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.918 1.687 . . . . 0.0 106.673 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.79 135.44 34.11 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 128.015 2.526 . . . . 0.0 107.614 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.7 p -99.94 172.09 7.44 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 124.334 1.054 . . . . 0.0 108.639 -167.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -20.13 60.2 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.513 1.125 . . . . 0.0 111.216 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -83.5 -36.29 24.21 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.347 1.459 . . . . 0.0 108.777 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -70.8 -47.1 61.29 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.5 1.12 . . . . 0.0 109.066 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -57.31 -35.7 70.16 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.425 1.49 . . . . 0.0 113.681 -174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -85.57 -6.98 59.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 123.313 0.645 . . . . 0.0 110.951 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -97.87 -18.73 18.54 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.44 -23.33 43.21 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -26.89 61.38 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.496 1.118 . . . . 0.0 110.332 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -81.39 -26.57 35.34 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.715 -0.615 . . . . 0.0 110.048 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -81.51 -66.66 0.86 Allowed 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -163.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.445 HD21 ' HE ' ' A' ' 20' ' ' ARG . 63.6 mt -74.81 -27.8 60.45 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 124.904 1.282 . . . . 0.0 108.027 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.09 42.07 2.89 Favored Glycine 0 CA--C 1.49 -1.501 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.9 mt -101.32 -162.11 0.91 Allowed 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -113.36 -179.05 3.53 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 170.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.36 -40.68 64.19 Favored 'General case' 0 CA--C 1.494 -1.189 0 C-N-CA 123.77 0.828 . . . . 0.0 108.79 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -66.7 -34.57 78.15 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 127.21 2.204 . . . . 0.0 112.733 -166.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -70.51 -38.71 74.31 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 123.906 0.882 . . . . 0.0 111.22 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt -86.59 -19.84 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 123.949 0.899 . . . . 0.0 109.253 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -66.0 -42.43 89.74 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 124.478 1.111 . . . . 0.0 109.757 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.61 -47.8 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 C-N-CA 127.709 2.403 . . . . 0.0 109.891 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -61.62 -38.55 88.04 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.607 1.563 . . . . 0.0 112.698 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -73.58 -35.76 65.49 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.354 1.062 . . . . 0.0 109.869 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -78.93 -15.97 57.61 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.91 1.284 . . . . 0.0 112.319 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.65 -44.29 57.19 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.383 1.073 . . . . 0.0 108.172 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 mptt . . . . . 0 C--N 1.355 0.805 0 C-N-CA 124.674 1.19 . . . . 0.0 112.568 178.548 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.435 -1.216 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.3 p -108.36 179.59 4.16 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 168.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.49 71.5 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.133 0.973 . . . . 0.0 111.401 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -82.18 -24.3 35.05 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.774 1.229 . . . . 0.0 111.42 -174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.41 -43.56 27.1 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.57 -49.46 77.45 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 125.276 1.43 . . . . 0.0 110.802 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.02 -51.89 48.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 128.986 2.914 . . . . 0.0 113.366 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.36 -42.3 95.48 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 126.054 1.742 . . . . 0.0 111.307 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.04 -19.88 61.77 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -67.16 -30.59 70.61 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 119.15 0.886 . . . . 0.0 110.676 176.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -37.66 32.15 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 124.253 1.021 . . . . 0.0 109.351 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -69.68 -32.6 71.31 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.593 1.557 . . . . 0.0 110.95 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -58.76 -36.27 74.11 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 125.779 1.631 . . . . 0.0 111.995 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.42 -53.34 29.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.513 1.125 . . . . 0.0 111.551 -176.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.6 m -81.08 -66.91 0.83 Allowed 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 109.033 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.47 81.17 2.31 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 126.213 1.805 . . . . 0.0 107.741 -172.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -83.62 -50.15 8.49 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -88.74 78.82 7.6 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.679 1.592 . . . . 0.0 106.823 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.37 159.33 21.39 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 126.624 1.97 . . . . 0.0 110.768 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -108.19 170.43 8.01 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 173.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -73.8 -27.83 61.33 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.635 0.774 . . . . 0.0 109.371 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -79.38 -33.22 42.98 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.007 1.723 . . . . 0.0 110.729 -171.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -73.26 -50.39 22.54 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -60.0 -27.94 67.29 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -168.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -82.25 -11.39 58.69 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 123.945 0.898 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 t -102.19 -16.06 16.47 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -81.3 -27.22 35.14 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.12 -24.52 59.46 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.884 1.274 . . . . 0.0 109.996 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.98 -31.75 34.65 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.28 -69.7 0.51 Allowed 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 124.079 0.952 . . . . 0.0 113.221 -164.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.61 -31.75 67.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 125.488 1.515 . . . . 0.0 107.65 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.42 42.08 2.43 Favored Glycine 0 CA--C 1.489 -1.564 0 N-CA-C 106.869 -2.492 . . . . 0.0 106.869 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -97.09 -162.46 0.96 Allowed 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -116.45 -179.23 3.62 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 168.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.62 -36.86 62.94 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -60.47 -35.0 74.84 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 127.48 2.312 . . . . 0.0 112.656 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -67.14 -42.88 83.66 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.071 1.348 . . . . 0.0 111.121 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -82.7 -26.23 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.97 1.308 . . . . 0.0 109.587 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -63.56 -40.1 96.12 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.414 1.086 . . . . 0.0 110.63 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.3 mt -70.89 -49.28 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 126.087 1.755 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -58.59 -42.01 87.09 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.428 1.891 . . . . 0.0 112.7 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -73.21 -40.32 64.82 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 124.082 0.953 . . . . 0.0 111.099 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -73.13 -24.75 60.65 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.284 1.034 . . . . 0.0 112.074 -177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -75.6 -38.69 58.87 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.093 1.357 . . . . 0.0 109.064 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt . . . . . 0 N--CA 1.441 -0.902 0 C-N-CA 126.083 1.753 . . . . 0.0 115.213 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 . . . . . 0 N--CA 1.439 -0.987 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -100.32 178.96 4.6 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.82 70.13 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.843 0.857 . . . . 0.0 111.275 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -76.79 -25.24 53.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.186 1.395 . . . . 0.0 111.263 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.84 -53.49 7.04 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.698 0.799 . . . . 0.0 109.255 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.95 -52.86 47.33 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 126.609 1.964 . . . . 0.0 113.405 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.26 -33.14 73.04 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.869 1.268 . . . . 0.0 113.741 -171.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -73.75 -39.29 64.33 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.077 1.351 . . . . 0.0 110.645 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.43 -22.97 56.92 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.109 0.964 . . . . 0.0 111.97 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -84.58 -28.11 26.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 125.038 1.335 . . . . 0.0 109.143 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.37 -16.59 54.15 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.2 1.0 . . . . 0.0 109.841 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -84.84 -46.14 11.63 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 171.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.53 -38.28 63.63 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.949 2.1 . . . . 0.0 113.469 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.91 -54.88 28.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.042 1.337 . . . . 0.0 114.0 -172.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.5 m -91.15 -54.39 3.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -105.44 104.07 13.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.807 1.243 . . . . 0.0 109.22 -166.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -93.71 -73.77 0.56 Allowed 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -66.99 103.78 1.23 Allowed 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 124.744 1.218 . . . . 0.0 111.995 -162.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.27 157.21 37.5 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 125.782 1.633 . . . . 0.0 109.465 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.3 p -97.62 175.66 6.12 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 168.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.98 -20.95 60.18 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.908 -0.495 . . . . 0.0 110.21 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -91.02 -35.83 14.42 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.934 1.294 . . . . 0.0 110.556 -173.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.29 -33.97 32.27 Favored 'General case' 0 CA--C 1.491 -1.309 0 C-N-CA 124.262 1.025 . . . . 0.0 109.448 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.67 -35.71 76.91 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 125.959 1.704 . . . . 0.0 110.956 170.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.28 -23.36 61.18 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.97 1.308 . . . . 0.0 111.19 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -82.73 -27.73 30.93 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.88 -24.37 55.67 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.1 62.37 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.307 1.443 . . . . 0.0 110.478 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -84.17 -19.56 33.9 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.336 0.654 . . . . 0.0 109.814 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.55 -71.07 0.41 Allowed 'General case' 0 CA--C 1.494 -1.191 0 C-N-CA 124.51 1.124 . . . . 0.0 112.351 -169.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.79 -27.8 44.55 Favored 'General case' 0 CA--C 1.493 -1.218 0 C-N-CA 125.809 1.644 . . . . 0.0 108.087 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.71 38.45 3.43 Favored Glycine 0 CA--C 1.49 -1.52 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HB2' HD11 ' A' ' 50' ' ' ILE . 19.6 mt -97.45 -166.92 1.45 Allowed 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -105.95 179.45 4.26 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.24 -40.98 62.03 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-O 121.953 0.882 . . . . 0.0 109.164 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 t -67.54 -39.75 85.0 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 127.164 2.185 . . . . 0.0 111.362 -167.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.63 -41.19 92.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 124.973 1.309 . . . . 0.0 111.481 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.415 HD11 ' HB2' ' A' ' 45' ' ' LEU . 13.9 mt -85.94 -22.62 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 124.029 0.932 . . . . 0.0 109.564 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.53 -47.98 74.06 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.247 1.019 . . . . 0.0 109.55 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.66 -45.53 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.278 0 C-N-CA 128.015 2.526 . . . . 0.0 110.182 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.19 -45.43 91.09 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.459 1.504 . . . . 0.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.11 -39.06 82.9 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.987 0.915 . . . . 0.0 109.967 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.88 -23.19 62.25 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.627 1.171 . . . . 0.0 112.794 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -75.63 -39.32 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 109.666 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm . . . . . 0 CA--C 1.503 -0.836 0 C-N-CA 125.44 1.496 . . . . 0.0 112.15 178.684 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 N--CA 1.438 -1.04 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.4 p -111.66 -176.11 2.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.65 67.25 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.624 0.769 . . . . 0.0 110.592 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -25.5 54.05 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.894 1.678 . . . . 0.0 111.713 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -86.58 -47.89 8.82 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -175.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -51.65 -50.29 60.63 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.141 1.776 . . . . 0.0 113.341 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -62.67 -36.4 82.75 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.871 1.269 . . . . 0.0 113.787 -170.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -74.65 -36.76 62.85 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 123.995 0.918 . . . . 0.0 110.901 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -70.95 -21.29 62.35 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.136 0.974 . . . . 0.0 112.619 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -79.54 -19.51 49.36 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.383 1.073 . . . . 0.0 110.326 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.98 -30.52 35.05 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.868 0.867 . . . . 0.0 109.581 172.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.14 -33.06 63.41 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.07 0.948 . . . . 0.0 109.976 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.39 -44.09 79.75 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.775 1.63 . . . . 0.0 109.773 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.36 -45.46 94.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.164 1.786 . . . . 0.0 112.252 -171.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -77.46 -70.15 0.49 Allowed 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -110.62 130.63 55.52 Favored 'General case' 0 N--CA 1.427 -1.608 0 C-N-CA 124.643 1.177 . . . . 0.0 109.062 -169.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -107.08 1.13 24.02 Favored 'General case' 0 CA--C 1.5 -0.949 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 161.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.14 75.28 10.35 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 126.393 1.877 . . . . 0.0 106.589 167.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD22 ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -97.42 120.26 37.46 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -172.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -100.45 174.17 6.23 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.02 -22.95 59.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 123.488 0.715 . . . . 0.0 110.39 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -86.39 -33.89 20.36 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 124.898 1.279 . . . . 0.0 109.825 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HE ' HD22 ' A' ' 31' ' ' LEU . 64.2 mtp85 -71.86 -47.26 54.22 Favored 'General case' 0 CA--C 1.49 -1.337 0 C-N-CA 124.626 1.17 . . . . 0.0 108.826 173.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -56.56 -38.8 72.45 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.533 1.533 . . . . 0.0 113.31 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.81 -9.52 58.08 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 122.898 0.479 . . . . 0.0 110.924 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -94.1 -20.93 19.45 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.11 -30.39 49.46 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.58 -25.2 56.83 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 124.454 1.102 . . . . 0.0 110.976 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -78.38 -33.89 48.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -84.66 -62.85 1.45 Allowed 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -160.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -74.57 -27.34 60.45 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 124.716 1.206 . . . . 0.0 108.219 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.77 44.39 3.14 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.02 -167.9 1.77 Allowed 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -114.31 -178.51 3.39 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 163.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.44 -40.67 64.02 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.216 1.006 . . . . 0.0 109.725 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -65.36 -29.35 70.06 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 127.422 2.289 . . . . 0.0 112.781 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -72.57 -34.13 67.25 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.485 1.114 . . . . 0.0 110.975 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mt -85.34 -21.83 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 123.516 0.727 . . . . 0.0 109.633 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.9 -37.85 88.91 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 124.358 1.063 . . . . 0.0 110.52 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.02 -48.3 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.273 0 C-N-CA 126.614 1.966 . . . . 0.0 108.81 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -59.5 -39.75 84.81 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.76 2.024 . . . . 0.0 113.791 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -73.98 -36.93 64.59 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 123.77 0.828 . . . . 0.0 110.078 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -77.18 -15.63 59.43 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.367 1.067 . . . . 0.0 111.968 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -74.1 -39.12 63.61 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.836 1.255 . . . . 0.0 109.038 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.354 0.793 0 C-N-CA 124.279 1.031 . . . . 0.0 111.187 175.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 . . . . . 0 N--CA 1.443 -0.778 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.0 p -90.53 178.57 6.07 Favored 'General case' 0 C--N 1.359 0.981 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -35.41 70.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.225 0.61 . . . . 0.0 110.999 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -83.84 -25.29 30.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 124.313 1.045 . . . . 0.0 111.62 -175.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.49 -46.19 64.22 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.991 0.916 . . . . 0.0 109.138 176.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.07 -48.12 79.35 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.72 1.608 . . . . 0.0 110.973 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.6 -48.57 69.14 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.735 2.414 . . . . 0.0 113.492 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -63.85 -40.74 97.3 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 111.165 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.03 -21.5 59.93 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 118.569 -0.729 . . . . 0.0 112.611 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -70.63 -30.0 66.52 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.23 0.923 . . . . 0.0 109.555 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.11 45.26 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.209 1.004 . . . . 0.0 109.194 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -87.6 2.87 49.69 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.16 0.984 . . . . 0.0 110.66 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.88 -45.44 14.22 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -68.27 -44.99 74.32 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 125.186 1.394 . . . . 0.0 110.416 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 m -80.02 -68.7 0.65 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.847 0.859 . . . . 0.0 109.04 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -101.76 70.38 1.25 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 125.241 1.416 . . . . 0.0 108.968 -168.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -63.69 1.07 Allowed 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 126.157 1.783 . . . . 0.0 110.975 -174.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -92.06 76.94 5.39 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.33 149.02 7.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 127.275 2.23 . . . . 0.0 111.287 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.38 173.93 7.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.62 -19.88 60.74 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.645 0.778 . . . . 0.0 110.305 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -91.3 -43.0 10.06 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.988 0.915 . . . . 0.0 109.587 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -63.88 -46.1 86.44 Favored 'General case' 0 CA--C 1.493 -1.248 0 C-N-CA 124.759 1.223 . . . . 0.0 110.751 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttp-105 -63.36 -38.67 92.06 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 124.611 1.164 . . . . 0.0 111.064 -176.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.22 -28.06 69.78 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 126.464 1.905 . . . . 0.0 112.889 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -81.28 -33.28 32.76 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.102 0.561 . . . . 0.0 109.908 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.73 -27.12 63.73 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.63 63.14 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 126.218 1.807 . . . . 0.0 111.554 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.01 -30.41 58.49 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 121.45 -0.781 . . . . 0.0 110.045 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -79.65 -68.84 0.63 Allowed 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 122.932 0.493 . . . . 0.0 112.065 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.33 -27.27 68.91 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 125.913 1.685 . . . . 0.0 109.956 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.48 36.36 5.92 Favored Glycine 0 CA--C 1.489 -1.566 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 173.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.76 -167.7 1.6 Allowed 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -112.34 179.64 3.93 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.412 -2.44 . . . . 0.0 104.412 170.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.59 -37.25 68.2 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -67.8 -32.98 73.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.942 2.097 . . . . 0.0 112.123 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -67.95 -44.72 76.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.742 1.217 . . . . 0.0 110.722 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.0 mt -81.33 -23.8 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 124.691 1.197 . . . . 0.0 109.511 -174.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -51.18 67.19 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.516 1.126 . . . . 0.0 108.945 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -43.78 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 C-N-CA 127.794 2.437 . . . . 0.0 110.784 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.23 -37.96 84.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.724 1.609 . . . . 0.0 112.307 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.86 -27.58 60.32 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.367 0.667 . . . . 0.0 110.608 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -79.69 -25.04 41.33 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.178 0.991 . . . . 0.0 111.347 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.32 -36.58 63.71 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.282 1.433 . . . . 0.0 109.695 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt . . . . . 0 C--N 1.352 0.71 0 C-N-CA 125.308 1.443 . . . . 0.0 112.419 178.341 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 . . . . . 0 CA--C 1.502 -0.895 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -104.21 -178.43 3.66 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 175.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.15 67.76 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 124.13 0.972 . . . . 0.0 111.607 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.13 -29.57 48.89 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.955 1.302 . . . . 0.0 110.757 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.6 -44.4 24.12 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 123.907 0.883 . . . . 0.0 109.673 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.77 -45.95 85.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.598 1.559 . . . . 0.0 111.776 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -51.57 -51.18 57.57 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.63 1.972 . . . . 0.0 113.118 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -45.87 92.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 126.67 1.988 . . . . 0.0 111.407 -178.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 mt -75.43 -28.25 59.28 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -82.05 -22.28 36.48 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 123.991 0.916 . . . . 0.0 109.741 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.28 -36.92 63.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.072 0.949 . . . . 0.0 110.056 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -91.49 -9.17 45.45 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -90.68 22.83 3.33 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-O 122.761 1.267 . . . . 0.0 109.718 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -89.64 -56.94 3.05 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -90.82 -63.74 1.23 Allowed 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -87.12 114.92 24.15 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.847 1.259 . . . . 0.0 110.643 -165.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -95.71 -50.68 4.83 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 170.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.61 91.83 7.02 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 108.991 -167.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.04 156.62 21.02 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 114.809 -1.087 . . . . 0.0 108.107 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -106.79 -176.11 2.99 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.95 -17.56 61.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.798 0.839 . . . . 0.0 110.366 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -93.25 -48.51 6.41 Favored 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 124.503 1.121 . . . . 0.0 110.128 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -62.68 -44.32 96.56 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 125.481 1.512 . . . . 0.0 111.23 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -65.72 -39.7 91.46 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.111 0.964 . . . . 0.0 110.729 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.41 -23.18 66.26 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 126.325 1.85 . . . . 0.0 112.974 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -78.77 -40.26 33.69 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 123.119 0.568 . . . . 0.0 109.78 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -32.91 73.81 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 123.882 0.873 . . . . 0.0 108.881 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.35 62.48 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.748 2.019 . . . . 0.0 111.718 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -72.78 -33.85 66.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 121.636 -0.665 . . . . 0.0 109.494 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.28 -58.39 3.31 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.06 -31.0 64.12 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 125.333 1.453 . . . . 0.0 109.432 -173.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.24 34.34 5.91 Favored Glycine 0 CA--C 1.49 -1.48 0 N-CA-C 106.787 -2.525 . . . . 0.0 106.787 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -90.93 -176.76 4.75 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -108.82 179.79 4.08 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.04 -36.96 67.02 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 124.41 1.084 . . . . 0.0 109.178 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -72.6 -24.48 61.09 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 126.747 2.019 . . . . 0.0 111.956 -173.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -73.94 -47.48 37.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.3 mt -80.48 -18.23 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 C-N-CA 124.76 1.224 . . . . 0.0 109.537 -174.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -61.32 -54.56 42.34 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.589 1.556 . . . . 0.0 109.829 174.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.46 -45.27 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 C-N-CA 127.531 2.333 . . . . 0.0 110.249 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -58.83 -39.85 82.46 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.366 1.466 . . . . 0.0 112.808 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -67.49 -38.88 85.01 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 118.889 0.768 . . . . 0.0 110.612 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -73.36 -22.39 60.29 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.375 1.07 . . . . 0.0 112.156 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -76.11 -41.62 49.64 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.561 1.545 . . . . 0.0 110.217 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt . . . . . 0 CA--C 1.502 -0.873 0 C-N-CA 125.002 1.321 . . . . 0.0 111.593 179.571 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.5 -0.979 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 p -110.43 -178.44 3.5 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 169.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.88 69.02 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 124.066 0.946 . . . . 0.0 111.326 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -75.97 -25.2 55.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 125.451 1.5 . . . . 0.0 111.699 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -86.34 -42.48 13.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 123.422 0.689 . . . . 0.0 109.475 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.26 -49.88 75.57 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.29 1.436 . . . . 0.0 112.49 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.7 -33.47 76.03 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 124.92 1.288 . . . . 0.0 113.346 -171.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -75.69 -33.26 60.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.151 0.98 . . . . 0.0 110.688 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.5 mt -73.59 -20.44 60.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 123.766 0.826 . . . . 0.0 111.891 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.9 -29.53 66.75 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.823 0.738 . . . . 0.0 110.181 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.28 -30.9 33.89 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.258 1.023 . . . . 0.0 109.957 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.11 -5.7 56.24 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.112 0.965 . . . . 0.0 110.425 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.58 -40.73 95.81 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.932 1.693 . . . . 0.0 110.911 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.8 m -74.91 -69.06 0.49 Allowed 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 124.348 1.059 . . . . 0.0 108.192 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -106.45 106.09 16.45 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.065 1.346 . . . . 0.0 107.925 -174.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -93.76 -45.47 7.66 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.9 m-85 -83.91 78.6 9.7 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tp -85.45 146.36 26.99 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 125.638 1.575 . . . . 0.0 108.402 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.3 p -98.5 172.66 7.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.48 -22.05 60.26 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.418 0.687 . . . . 0.0 110.462 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -93.04 -24.24 18.39 Favored 'General case' 0 C--N 1.359 0.978 0 C-N-CA 124.783 1.233 . . . . 0.0 111.542 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -59.87 -36.42 76.87 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 126.178 1.791 . . . . 0.0 111.658 171.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -66.05 -27.57 68.19 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 125.648 1.579 . . . . 0.0 111.131 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.3 m -83.11 -29.71 28.5 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.9 -26.62 59.77 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.49 60.32 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.595 1.558 . . . . 0.0 111.142 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -84.29 -21.45 31.04 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 121.597 -0.69 . . . . 0.0 109.787 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -77.73 -68.39 0.63 Allowed 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.002 0.921 . . . . 0.0 112.78 -167.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -76.75 -27.05 55.21 Favored 'General case' 0 CA--C 1.494 -1.175 0 C-N-CA 125.659 1.584 . . . . 0.0 108.041 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.13 43.24 2.62 Favored Glycine 0 CA--C 1.488 -1.599 0 N-CA-C 107.357 -2.297 . . . . 0.0 107.357 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -97.96 -167.58 1.54 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.56 173.1 6.45 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.76 -33.41 62.3 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.406 0.682 . . . . 0.0 109.545 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -72.52 -23.65 61.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.541 1.936 . . . . 0.0 112.279 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -67.64 -47.87 68.32 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.534 1.134 . . . . 0.0 109.447 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mt -84.12 -16.52 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 126.223 1.809 . . . . 0.0 109.261 -168.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -66.06 -51.25 59.88 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 125.034 1.333 . . . . 0.0 109.718 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.91 -45.53 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 C-N-CA 127.818 2.447 . . . . 0.0 109.922 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -60.63 -40.55 92.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.411 1.485 . . . . 0.0 112.717 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.57 -36.31 65.57 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 123.359 0.664 . . . . 0.0 110.516 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -72.92 -21.4 60.9 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 118.818 0.735 . . . . 0.0 111.774 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -72.14 -44.72 62.68 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.685 1.194 . . . . 0.0 109.849 172.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 C--N 1.353 0.732 0 C-N-CA 124.536 1.134 . . . . 0.0 112.957 -177.718 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 . . . . . 0 CA--C 1.5 -0.953 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -105.23 -175.79 2.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.9 68.26 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 124.282 1.033 . . . . 0.0 111.3 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -79.39 -26.73 41.9 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.073 1.349 . . . . 0.0 111.127 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -79.7 -42.57 24.39 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 123.614 0.766 . . . . 0.0 109.617 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.46 -41.87 90.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.254 1.422 . . . . 0.0 111.792 174.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.17 -51.01 65.7 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.461 1.904 . . . . 0.0 112.502 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.83 -49.27 77.22 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 126.8 2.04 . . . . 0.0 111.619 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.17 -20.68 47.84 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -78.79 -20.12 50.55 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.77 0.714 . . . . 0.0 109.918 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -32.76 39.22 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 109.038 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -75.32 -36.96 61.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.631 1.172 . . . . 0.0 110.361 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -67.2 -40.21 86.43 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.481 1.912 . . . . 0.0 109.864 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.49 -46.0 88.12 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 111.292 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -76.1 -70.26 0.45 Allowed 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -109.66 100.13 9.2 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.585 1.554 . . . . 0.0 107.862 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -76.51 -38.28 55.44 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -82.9 73.96 9.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 126.682 1.993 . . . . 0.0 106.789 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.64 133.65 34.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 129.291 3.036 . . . . 0.0 104.23 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -89.36 150.95 22.33 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.4 -7.33 51.24 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.15 0.58 . . . . 0.0 111.746 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -93.69 -39.81 10.58 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 124.735 1.214 . . . . 0.0 109.888 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -87.73 -18.4 29.54 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 125.567 1.547 . . . . 0.0 108.572 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -57.27 -30.72 64.92 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 124.731 1.212 . . . . 0.0 112.251 161.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -76.47 -15.4 59.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 123.296 0.638 . . . . 0.0 110.713 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -81.4 -34.29 31.71 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.102 0.961 . . . . 0.0 108.646 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.46 61.74 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 125.774 1.629 . . . . 0.0 110.91 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.8 -26.96 49.98 Favored 'General case' 0 C--N 1.361 1.095 0 O-C-N 121.791 -0.568 . . . . 0.0 110.409 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -77.16 -63.89 1.26 Allowed 'General case' 0 CA--C 1.492 -1.25 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -172.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.44 -29.08 59.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 125.581 1.552 . . . . 0.0 108.914 -172.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.17 34.16 5.99 Favored Glycine 0 CA--C 1.488 -1.61 0 N-CA-C 106.466 -2.653 . . . . 0.0 106.466 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -89.94 -173.77 4.0 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -111.24 -173.51 2.26 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 174.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.93 -45.03 52.97 Favored 'General case' 0 CA--C 1.494 -1.192 0 C-N-CA 123.958 0.903 . . . . 0.0 108.705 172.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -69.51 -30.38 68.22 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 126.747 2.019 . . . . 0.0 112.225 -165.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -68.32 -42.48 79.3 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.821 1.248 . . . . 0.0 110.436 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.6 mt -80.86 -28.82 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 C-N-CA 125.059 1.344 . . . . 0.0 109.775 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -62.65 -44.72 95.56 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.715 1.206 . . . . 0.0 111.309 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.21 -47.0 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 C-N-CA 126.423 1.889 . . . . 0.0 109.488 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -60.16 -36.15 76.9 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 125.724 1.609 . . . . 0.0 112.813 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.86 -43.39 75.49 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 119.494 1.043 . . . . 0.0 110.283 -177.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.05 -24.11 60.66 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.922 0.889 . . . . 0.0 111.98 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.12 -43.15 68.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.868 1.267 . . . . 0.0 110.071 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt . . . . . 0 C--N 1.355 0.808 0 C-N-CA 124.887 1.275 . . . . 0.0 112.826 -177.52 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.439 -0.993 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -111.72 -174.07 2.38 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 171.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.74 68.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 123.775 0.83 . . . . 0.0 110.71 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -77.18 -27.43 53.63 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.526 1.53 . . . . 0.0 111.605 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.9 -42.83 17.25 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.64 -50.13 72.96 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.403 1.481 . . . . 0.0 111.119 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -46.24 -55.3 7.37 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 128.027 2.531 . . . . 0.0 113.554 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -48.95 70.21 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 127.714 2.406 . . . . 0.0 112.011 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.2 mt -76.34 -20.94 56.74 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.033 0.933 . . . . 0.0 113.311 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -84.3 -22.18 30.76 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 124.836 1.254 . . . . 0.0 109.658 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.68 63.48 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.86 -24.65 44.2 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.611 0.764 . . . . 0.0 111.721 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.67 -35.95 79.81 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.96 1.255 . . . . 0.0 109.718 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -71.91 -50.76 26.38 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.615 1.166 . . . . 0.0 111.094 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -81.37 -67.21 0.8 Allowed 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 123.098 0.559 . . . . 0.0 109.657 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -113.83 79.7 1.28 Allowed 'General case' 0 N--CA 1.432 -1.341 0 C-N-CA 125.729 1.611 . . . . 0.0 107.982 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -50.02 71.19 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.148 1.379 . . . . 0.0 109.562 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -79.58 92.89 5.37 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 125.76 1.624 . . . . 0.0 108.504 -169.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 mt -78.7 154.35 30.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.448 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.7 p -104.5 174.61 5.8 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 169.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.76 -23.0 59.67 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 118.186 0.448 . . . . 0.0 109.806 173.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' HA ' HE21 ' A' ' 37' ' ' GLN . 6.7 tm0? -77.92 -45.45 24.0 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.34 1.456 . . . . 0.0 109.524 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.72 -47.37 81.38 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.84 1.256 . . . . 0.0 109.693 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.09 -34.11 75.69 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 125.339 1.456 . . . . 0.0 113.615 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.427 HE21 ' HA ' ' A' ' 34' ' ' GLN . 18.4 pt20 -87.54 -4.87 58.97 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 122.332 -0.23 . . . . 0.0 110.72 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -85.57 -29.76 23.88 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -74.71 -24.48 58.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.284 1.033 . . . . 0.0 108.477 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.15 61.22 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.472 1.109 . . . . 0.0 110.93 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -76.26 -38.26 56.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.79 -69.2 0.38 Allowed 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.68 -29.0 62.05 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 125.362 1.465 . . . . 0.0 108.625 -173.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.95 33.01 4.18 Favored Glycine 0 CA--C 1.489 -1.572 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.97 -162.14 0.91 Allowed 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.32 -169.86 1.88 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -74.22 -44.45 53.13 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 169.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -59.49 -36.95 77.02 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 127.776 2.431 . . . . 0.0 113.746 -169.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -66.67 -39.03 87.99 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.184 1.394 . . . . 0.0 111.097 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mt -88.19 -19.72 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 C-N-CA 125.345 1.458 . . . . 0.0 109.86 -171.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.79 -45.63 81.69 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 120.972 -1.08 . . . . 0.0 109.209 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.85 -46.55 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 C-N-CA 127.071 2.148 . . . . 0.0 109.734 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -62.27 -41.5 98.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.387 1.475 . . . . 0.0 112.899 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.3 -25.96 59.9 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.632 0.651 . . . . 0.0 110.905 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.76 -28.52 44.83 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 111.299 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -72.0 -39.96 68.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.445 1.498 . . . . 0.0 110.591 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt . . . . . 0 CA--C 1.502 -0.886 0 C-N-CA 125.889 1.676 . . . . 0.0 114.016 -175.484 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.436 -1.143 0 CA-C-O 121.71 0.766 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.8 p -115.72 -175.39 2.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 171.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.3 -27.92 63.75 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 123.935 0.894 . . . . 0.0 110.583 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.06 -25.42 59.82 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.881 1.672 . . . . 0.0 111.694 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -84.21 -49.7 8.57 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.96 -42.74 80.67 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.496 1.118 . . . . 0.0 113.197 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -68.1 -43.96 77.3 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.305 1.442 . . . . 0.0 109.937 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.91 -24.26 61.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 125.277 1.431 . . . . 0.0 112.016 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -81.31 -22.29 38.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.412 1.485 . . . . 0.0 110.234 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.33 33.13 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.526 0.73 . . . . 0.0 109.273 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -72.04 -34.4 68.76 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.503 1.121 . . . . 0.0 110.355 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.97 -31.72 7.91 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.133 2.573 . . . . 0.0 113.887 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -65.79 -59.73 3.6 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 124.285 1.034 . . . . 0.0 111.846 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.1 m -84.38 -65.98 0.95 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -105.22 97.12 7.01 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 126.077 1.751 . . . . 0.0 107.758 -170.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -92.25 -71.51 0.64 Allowed 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -91.82 84.76 5.44 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 173.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.562 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -58.86 178.42 0.12 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.296 2.238 . . . . 0.0 110.954 169.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.5 p -82.92 175.41 10.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 125.199 1.4 . . . . 0.0 107.86 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -73.74 -17.89 61.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.592 0.757 . . . . 0.0 110.524 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -94.57 -36.0 12.0 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 111.103 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -84.11 -33.7 24.28 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 124.103 0.961 . . . . 0.0 109.813 -174.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB2' HD23 ' A' ' 31' ' ' LEU . 54.9 ttp180 -63.85 -38.79 92.39 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.49 1.116 . . . . 0.0 109.159 174.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.64 -25.6 66.66 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 126.261 1.824 . . . . 0.0 111.773 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -80.66 -28.72 36.77 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 122.145 -0.347 . . . . 0.0 110.574 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -73.55 -29.55 62.51 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.99 -24.84 59.66 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 125.746 1.618 . . . . 0.0 111.8 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -79.68 -31.89 41.39 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 121.677 -0.639 . . . . 0.0 109.844 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.54 -58.26 2.42 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -165.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 HD12 ' A' ' 45' ' ' LEU . 72.8 mt -68.5 -31.83 71.38 Favored 'General case' 0 CA--C 1.498 -1.031 0 C-N-CA 124.268 1.027 . . . . 0.0 108.525 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 40.98 4.07 Favored Glycine 0 CA--C 1.491 -1.437 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.41 HD12 HD12 ' A' ' 43' ' ' LEU . 21.2 mt -93.46 -170.7 2.43 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -118.68 169.61 9.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 103.967 -2.605 . . . . 0.0 103.967 168.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.12 -30.93 65.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.869 0.868 . . . . 0.0 110.231 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 t -65.84 -39.24 90.62 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.8 2.04 . . . . 0.0 111.483 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.5 -32.32 66.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.133 0.973 . . . . 0.0 111.713 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -83.79 -28.66 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.325 1.05 . . . . 0.0 109.166 -174.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.01 -47.95 83.73 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.606 1.562 . . . . 0.0 109.744 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -46.14 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 C-N-CA 128.107 2.563 . . . . 0.0 110.751 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -58.08 -46.19 85.89 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.442 1.897 . . . . 0.0 113.06 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -76.65 -25.45 53.76 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.748 0.819 . . . . 0.0 110.739 -176.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -83.59 -19.07 36.19 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 124.726 1.21 . . . . 0.0 111.699 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -77.18 -40.77 44.09 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 124.895 1.278 . . . . 0.0 108.322 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 C--N 1.352 0.698 0 C-N-CA 124.413 1.085 . . . . 0.0 112.026 176.53 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.2 p -100.18 179.78 4.37 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.8 70.18 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 123.999 0.919 . . . . 0.0 111.274 -176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.89 -24.33 52.55 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.202 1.401 . . . . 0.0 111.409 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -80.42 -51.15 9.16 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.064 0.946 . . . . 0.0 109.571 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.37 -50.69 66.91 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 126.637 1.975 . . . . 0.0 113.014 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.52 -28.89 68.91 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.592 1.157 . . . . 0.0 113.182 -172.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -71.86 -35.94 69.97 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.359 1.464 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.0 mt -75.78 -28.19 58.31 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 123.925 0.89 . . . . 0.0 111.441 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -72.88 -29.16 62.95 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 123.728 0.811 . . . . 0.0 110.106 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.35 58.26 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.78 1.232 . . . . 0.0 110.13 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.79 -40.89 63.09 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.06 1.344 . . . . 0.0 109.782 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.8 -26.6 64.26 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.003 2.521 . . . . 0.0 112.493 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -58.47 -51.42 69.91 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.976 1.31 . . . . 0.0 112.246 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 m -86.37 -67.93 0.78 Allowed 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -115.36 115.68 27.0 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 125.351 1.461 . . . . 0.0 108.521 -167.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -86.3 -46.01 10.71 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -73.56 97.9 2.71 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 126.105 1.762 . . . . 0.0 109.72 -162.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.509 HD23 HH21 ' A' ' 35' ' ' ARG . 69.6 mt -75.87 149.3 37.83 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.081 177.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -101.59 -177.4 3.42 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.43 -22.33 61.11 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.605 0.762 . . . . 0.0 109.29 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -91.01 -48.37 7.03 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.033 0.933 . . . . 0.0 110.613 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.509 HH21 HD23 ' A' ' 31' ' ' LEU . 39.3 mtp85 -61.45 -46.08 91.57 Favored 'General case' 0 CA--C 1.494 -1.206 0 C-N-CA 125.402 1.481 . . . . 0.0 111.173 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -64.92 -39.83 94.12 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.214 1.406 . . . . 0.0 110.992 -174.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -66.5 -26.7 67.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 125.842 1.657 . . . . 0.0 111.959 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -83.02 -25.85 31.79 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.689 0.396 . . . . 0.0 110.089 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.86 -22.07 58.89 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 123.682 0.793 . . . . 0.0 109.025 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.13 65.34 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.469 1.108 . . . . 0.0 111.365 176.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -86.0 -20.39 28.96 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 121.483 -0.761 . . . . 0.0 109.506 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -76.09 -68.6 0.57 Allowed 'General case' 0 CA--C 1.493 -1.242 0 C-N-CA 124.009 0.924 . . . . 0.0 112.262 -167.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.1 mt -79.12 -27.87 42.9 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 125.454 1.501 . . . . 0.0 107.55 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.07 37.89 3.49 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 106.941 -2.464 . . . . 0.0 106.941 174.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.44 -156.75 0.58 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -117.41 -172.08 2.16 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 171.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.22 -43.64 56.32 Favored 'General case' 0 CA--C 1.496 -1.131 0 C-N-CA 124.383 1.073 . . . . 0.0 109.626 173.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -67.64 -33.81 75.7 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.092 2.157 . . . . 0.0 112.724 -166.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -72.19 -34.78 68.66 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.135 0.974 . . . . 0.0 111.343 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.05 -20.16 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 C-N-CA 125.005 1.322 . . . . 0.0 108.694 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -66.96 -43.64 82.59 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.855 1.262 . . . . 0.0 109.499 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.17 -45.1 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 128.291 2.636 . . . . 0.0 110.282 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.06 -40.09 88.26 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 125.9 1.68 . . . . 0.0 112.252 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.45 -25.25 50.44 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.357 0.663 . . . . 0.0 111.169 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.82 -18.08 38.86 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.273 1.029 . . . . 0.0 111.059 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -78.2 -37.3 45.91 Favored 'General case' 0 CA--C 1.503 -0.828 0 C-N-CA 124.847 1.259 . . . . 0.0 108.858 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? . . . . . 0 N--CA 1.445 -0.705 0 C-N-CA 125.627 1.571 . . . . 0.0 111.642 177.207 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 CA--C 1.495 -1.159 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -101.29 -179.0 3.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 175.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.02 70.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 123.296 0.638 . . . . 0.0 111.166 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -79.05 -25.25 43.17 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 125.201 1.401 . . . . 0.0 111.724 -176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.17 -44.12 18.34 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -55.17 -53.93 49.71 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.686 1.595 . . . . 0.0 112.65 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.72 -29.51 69.52 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.191 1.397 . . . . 0.0 113.321 -171.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -66.04 -41.28 91.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.177 1.791 . . . . 0.0 110.102 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.08 -21.09 54.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 112.429 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.09 -32.71 69.4 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.95 -25.09 37.66 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.778 1.231 . . . . 0.0 110.631 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -79.36 -43.94 22.5 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.53 31.24 1.37 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.605 1.162 . . . . 0.0 110.903 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -92.66 -62.07 1.47 Allowed 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.254 1.821 . . . . 0.0 106.561 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -86.39 -59.67 2.21 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -83.2 110.26 17.91 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.025 1.33 . . . . 0.0 109.912 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -97.01 -23.09 16.44 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 168.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -85.08 65.48 9.26 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 126.75 2.02 . . . . 0.0 107.831 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HG ' ' HE ' ' A' ' 35' ' ' ARG . 5.0 tt -100.12 129.43 46.15 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.4 p -94.43 155.94 16.72 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -170.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.82 -11.19 60.3 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.779 1.232 . . . . 0.0 111.094 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.47 -48.15 10.62 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.549 ' HE ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -82.79 -22.25 34.3 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.926 -0.484 . . . . 0.0 110.86 -176.217 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.561 HH11 ' HA ' ' A' ' 51' ' ' LYS . 6.6 ttm180 -53.31 -23.25 8.74 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.13 1.372 . . . . 0.0 113.902 167.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -88.29 -9.51 52.61 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 121.852 -0.53 . . . . 0.0 109.913 -174.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 t -97.4 -22.94 16.32 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.85 -28.06 63.3 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 170.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.69 -28.49 62.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.57 1.148 . . . . 0.0 111.628 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.82 -32.87 62.08 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 121.335 -0.853 . . . . 0.0 110.654 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -85.56 -50.03 7.56 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -164.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -72.91 -29.1 62.87 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 35.57 6.56 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.4 mt -101.92 -165.0 1.14 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -106.1 -178.7 3.73 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.72 -39.88 66.59 Favored 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 123.857 0.863 . . . . 0.0 109.064 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.914 2.486 . . . . 0.0 112.837 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -68.59 -46.31 69.7 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.176 0.99 . . . . 0.0 110.289 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 mt -81.43 -18.12 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 109.362 -174.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.561 ' HA ' HH11 ' A' ' 36' ' ' ARG . 78.8 tttt -66.1 -47.77 73.12 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.659 1.184 . . . . 0.0 109.849 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -59.84 -45.05 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 128.098 2.559 . . . . 0.0 110.006 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -59.95 -42.05 93.22 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.63 1.572 . . . . 0.0 112.501 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -76.13 -29.9 57.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 123.444 0.698 . . . . 0.0 110.812 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.05 0.94 . . . . 0.0 111.505 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.97 -43.44 58.12 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 109.098 174.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm . . . . . 0 C--N 1.356 0.884 0 C-N-CA 124.651 1.18 . . . . 0.0 112.751 176.597 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.6 p -112.22 177.3 4.69 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 174.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.45 -24.01 61.14 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.471 1.108 . . . . 0.0 111.626 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -77.67 -25.66 49.72 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.556 1.542 . . . . 0.0 109.937 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -81.72 -52.71 6.87 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.36 -17.07 52.18 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 126.862 2.065 . . . . 0.0 113.896 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -59.06 -59.47 5.42 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.663 1.585 . . . . 0.0 110.405 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -62.94 -43.53 98.55 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 126.862 2.065 . . . . 0.0 112.722 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.0 mt -70.23 -36.93 74.84 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.1 0.96 . . . . 0.0 112.317 -169.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -77.72 -29.01 51.03 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.35 0.66 . . . . 0.0 110.093 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.11 46.15 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.143 0.977 . . . . 0.0 112.011 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -93.43 -33.51 13.8 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.56 -31.54 72.73 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.928 1.691 . . . . 0.0 111.886 -174.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.34 -51.97 67.25 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.1 m -85.9 -49.6 7.75 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.36 96.02 5.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.911 1.284 . . . . 0.0 108.222 -168.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.63 -56.24 4.88 Favored 'General case' 0 CA--C 1.491 -1.294 0 C-N-CA 122.95 0.5 . . . . 0.0 110.239 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -72.54 101.13 2.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 122.444 1.116 . . . . 0.0 110.39 -168.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.14 146.91 40.95 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.462 2.305 . . . . 0.0 108.425 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -97.83 155.67 16.94 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.13 -12.07 60.76 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.308 1.043 . . . . 0.0 110.824 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.74 -46.85 10.31 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -82.6 -27.47 31.48 Favored 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 121.818 -0.551 . . . . 0.0 111.422 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -51.2 -33.0 25.6 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 125.645 1.578 . . . . 0.0 112.94 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -85.39 -20.08 30.42 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.45 -170.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -88.33 -23.3 23.45 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.902 1.281 . . . . 0.0 108.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.58 -26.46 55.08 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -29.54 63.98 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.903 0.881 . . . . 0.0 111.026 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.72 -28.41 33.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.701 -0.624 . . . . 0.0 109.848 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.88 -68.29 0.73 Allowed 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 123.891 0.876 . . . . 0.0 112.421 -165.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -72.13 -28.86 63.54 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 126.301 1.84 . . . . 0.0 107.625 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.81 48.67 2.26 Favored Glycine 0 CA--C 1.486 -1.754 0 N-CA-C 106.643 -2.583 . . . . 0.0 106.643 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 mt -102.54 -169.78 1.71 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -122.39 175.82 6.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 168.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -71.88 -36.18 69.98 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.978 0.911 . . . . 0.0 109.83 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -68.98 -32.9 72.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 126.759 2.024 . . . . 0.0 111.727 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.64 -36.1 62.87 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.33 1.052 . . . . 0.0 110.977 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.9 mt -80.68 -28.02 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.892 1.277 . . . . 0.0 108.939 -174.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -55.6 -47.8 75.9 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.649 1.979 . . . . 0.0 110.369 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.31 -51.1 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 C-N-CA 127.639 2.376 . . . . 0.0 110.647 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -55.84 -49.21 73.93 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.258 1.823 . . . . 0.0 113.409 -170.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.32 -30.81 62.21 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.72 0.808 . . . . 0.0 111.883 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -72.79 -36.09 67.52 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 123.819 0.848 . . . . 0.0 111.365 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -69.12 -40.78 78.09 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.443 1.497 . . . . 0.0 110.933 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt . . . . . 0 CA--C 1.499 -0.993 0 C-N-CA 125.767 1.627 . . . . 0.0 113.135 -176.752 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p -114.62 179.19 4.02 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 170.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.51 -24.57 62.86 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.492 1.117 . . . . 0.0 111.248 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.81 -35.19 76.7 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 125.889 1.676 . . . . 0.0 110.998 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -85.81 -47.87 9.31 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 123.676 0.79 . . . . 0.0 108.997 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.5 -43.35 84.14 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.834 1.653 . . . . 0.0 112.437 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.49 -52.25 62.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.558 1.943 . . . . 0.0 112.806 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.55 -26.63 55.34 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.197 0.999 . . . . 0.0 111.646 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -72.63 -21.86 61.04 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.006 0.522 . . . . 0.0 111.592 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -75.57 -22.28 57.12 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 118.33 0.514 . . . . 0.0 110.103 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.98 37.6 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.971 0.908 . . . . 0.0 109.298 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -84.82 -4.42 59.07 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.411 1.084 . . . . 0.0 110.375 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -92.63 -35.84 13.31 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -74.36 -61.58 1.82 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.1 0.96 . . . . 0.0 110.174 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -88.3 -61.64 1.67 Allowed 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 123.652 0.781 . . . . 0.0 108.96 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -100.95 53.89 0.85 Allowed 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 125.052 1.341 . . . . 0.0 109.871 -164.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -69.72 -35.93 75.46 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 124.83 1.252 . . . . 0.0 112.087 -171.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -79.94 86.49 5.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 125.562 1.545 . . . . 0.0 109.29 -167.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 3.8 mp -79.65 156.08 27.77 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.762 1.625 . . . . 0.0 110.646 -174.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -120.99 -179.7 4.1 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 104.627 -2.361 . . . . 0.0 104.627 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.95 -31.22 66.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -83.16 -40.98 19.02 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.908 1.283 . . . . 0.0 110.411 -167.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.5 -21.49 19.43 Favored 'General case' 0 CA--C 1.482 -1.666 0 O-C-N 121.839 -0.538 . . . . 0.0 111.162 -172.171 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.73 -35.96 75.6 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 124.21 1.004 . . . . 0.0 109.736 166.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -93.2 -0.77 56.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.98 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.4 m -86.2 -25.41 25.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 167.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.5 -24.66 45.73 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 171.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.89 -25.4 58.91 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.76 -36.28 50.79 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.24 -68.8 0.58 Allowed 'General case' 0 CA--C 1.493 -1.23 0 C-N-CA 124.935 1.294 . . . . 0.0 113.389 -164.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -73.46 -25.54 60.53 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 126.064 1.745 . . . . 0.0 108.346 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.1 47.1 2.7 Favored Glycine 0 CA--C 1.488 -1.649 0 N-CA-C 107.013 -2.435 . . . . 0.0 107.013 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.74 -165.57 1.22 Allowed 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -123.78 178.71 5.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.48 -32.52 64.36 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.015 0.926 . . . . 0.0 109.538 173.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -70.03 -31.53 69.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 127.381 2.273 . . . . 0.0 111.146 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -71.53 -47.59 54.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.807 1.243 . . . . 0.0 110.721 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.77 -30.61 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 124.095 0.958 . . . . 0.0 110.601 -163.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -63.65 -43.38 96.92 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.019 -1.051 . . . . 0.0 112.083 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.84 -46.0 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 C-N-CA 128.034 2.533 . . . . 0.0 110.488 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -59.77 -42.19 92.76 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.855 1.662 . . . . 0.0 112.105 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -75.3 -28.71 59.81 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 123.543 0.737 . . . . 0.0 110.862 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -78.18 -22.11 49.15 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.632 0.773 . . . . 0.0 111.515 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.72 -43.23 56.1 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.68 1.192 . . . . 0.0 109.346 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.353 0.732 0 C-N-CA 126.254 1.822 . . . . 0.0 112.326 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -79.71 -1.44 11.46 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.125 2.55 . . . . 0.0 112.354 -169.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.3 mtp -104.53 -150.48 0.43 Allowed 'General case' 0 C--N 1.356 0.875 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.6 -98.89 0.08 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -94.85 112.83 24.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -161.66 -173.38 3.72 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -87.18 159.2 18.94 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' HE ' HH11 ' A' ' 10' ' ' ARG . 90.2 mtm180 -85.23 154.79 60.31 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.77 96.1 0.91 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.533 2.822 . . . . 0.0 109.689 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 HH11 ' HE ' ' A' ' 8' ' ' ARG . 79.3 mtm-85 -115.26 -91.9 0.51 Allowed 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 104.263 -2.495 . . . . 0.0 104.263 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.2 m -104.54 -45.87 4.52 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 167.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.25 141.13 50.59 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 125.049 1.34 . . . . 0.0 110.902 -173.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -99.27 165.82 11.5 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -118.91 -175.18 2.85 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.48 -27.21 64.04 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 -170.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -86.47 -21.51 26.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 123.985 0.914 . . . . 0.0 110.634 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -81.21 -48.46 12.04 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.06 -39.76 72.52 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 126.592 1.957 . . . . 0.0 112.741 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -55.94 -47.65 77.17 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.25 1.82 . . . . 0.0 111.882 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.472 HH12 ' HB2' ' A' ' 42' ' ' GLU . 71.8 ttt180 -61.27 -44.43 97.24 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.941 1.696 . . . . 0.0 111.551 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.1 mt -71.11 -29.14 64.88 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.396 0.678 . . . . 0.0 112.716 -175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmp? -74.83 -28.28 60.62 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 124.256 1.022 . . . . 0.0 110.565 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.18 -33.63 63.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.227 1.011 . . . . 0.0 110.15 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.34 -45.03 49.8 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.366 1.067 . . . . 0.0 109.663 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.87 -35.74 73.47 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 127.616 2.366 . . . . 0.0 111.738 -176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -62.07 -43.72 98.22 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.53 1.532 . . . . 0.0 111.58 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.3 m -80.33 -71.81 0.44 Allowed 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -112.98 114.93 27.6 Favored 'General case' 0 N--CA 1.427 -1.612 0 C-N-CA 126.001 1.72 . . . . 0.0 107.69 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -78.33 -21.74 49.11 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -79.27 89.15 4.91 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 125.899 1.68 . . . . 0.0 108.535 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 54' ' ' PHE . 51.9 tp -82.9 142.2 31.64 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 172.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -107.92 163.83 12.79 Favored 'General case' 0 CA--C 1.489 -1.383 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -72.67 -18.2 61.58 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 123.301 0.64 . . . . 0.0 111.346 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -90.17 -41.11 11.81 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 124.306 1.042 . . . . 0.0 109.984 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -77.89 -34.18 51.64 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.345 0.658 . . . . 0.0 109.684 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HE ' HD23 ' A' ' 31' ' ' LEU . 41.7 ttm180 -56.11 -32.72 64.45 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.011 1.724 . . . . 0.0 112.733 172.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -69.79 -27.21 64.71 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 125.555 1.542 . . . . 0.0 111.54 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.6 m -88.11 -28.6 21.19 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 124.384 1.073 . . . . 0.0 109.849 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.69 -29.55 62.36 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -30.25 64.75 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 125.5 1.52 . . . . 0.0 110.686 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -75.96 -41.41 51.6 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' HB2' HH12 ' A' ' 20' ' ' ARG . 55.0 mm-40 -93.99 -39.01 10.87 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -161.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.1 mt -71.92 -32.08 67.01 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.23 34.38 6.76 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 174.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -100.12 -158.57 0.68 Allowed 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.609 HD22 HE21 ' A' ' 49' ' ' GLN . 71.6 m-80 -114.56 179.81 3.85 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 103.818 -2.66 . . . . 0.0 103.818 165.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -72.43 -40.62 66.94 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 123.878 0.871 . . . . 0.0 109.922 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -64.34 -26.59 68.54 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 126.632 1.973 . . . . 0.0 113.433 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.609 HE21 HD22 ' A' ' 46' ' ' ASN . 19.8 mm-40 -73.82 -39.39 64.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.206 1.003 . . . . 0.0 110.655 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -88.02 -19.84 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 125.51 1.524 . . . . 0.0 109.182 -174.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.39 -49.12 72.83 Favored 'General case' 0 CA--C 1.498 -1.037 0 C-N-CA 125.177 1.391 . . . . 0.0 108.988 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.79 -44.57 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 C-N-CA 128.153 2.581 . . . . 0.0 110.765 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -57.59 -47.06 83.16 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.561 1.545 . . . . 0.0 111.441 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 31' ' ' LEU . 3.3 m-85 -72.08 -33.0 67.57 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.074 0.95 . . . . 0.0 110.965 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.59 -30.92 64.8 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.15 0.98 . . . . 0.0 111.967 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -74.83 -42.38 58.11 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 125.364 1.466 . . . . 0.0 109.81 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -66.58 -42.26 87.27 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.894 1.678 . . . . 0.0 112.542 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -68.4 -22.76 64.61 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.812 1.245 . . . . 0.0 112.481 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.84 -3.03 59.02 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 123.781 0.832 . . . . 0.0 111.783 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.46 -30.58 37.48 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 123.508 0.723 . . . . 0.0 110.44 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.4 tt -69.37 166.38 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.093 0 C-N-CA 125.661 1.584 . . . . 0.0 110.863 -172.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -87.69 82.69 7.32 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -167.11 1.15 Allowed 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.4 -72.45 0.43 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.983 0.913 . . . . 0.0 109.939 -172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -81.55 166.83 19.91 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 68.26 -105.67 0.08 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.552 1.541 . . . . 0.0 109.414 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.706 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 173.637 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 118.233 -1.315 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.3 -17.76 11.42 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.858 2.372 . . . . 0.0 111.478 -169.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.8 mtm -104.15 173.61 6.23 Favored 'General case' 0 CA--C 1.499 -0.994 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.56 159.15 44.55 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 p -114.23 167.09 10.99 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -102.58 132.48 48.63 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.37 0.668 . . . . 0.0 110.166 -173.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.87 -151.59 0.47 Allowed 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 102.752 -3.055 . . . . 0.0 102.752 168.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -151.38 157.9 34.69 Favored Pre-proline 0 N--CA 1.441 -0.915 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.35 150.03 40.91 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.139 2.56 . . . . 0.0 108.392 156.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -92.01 163.64 13.91 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 121.983 0.897 . . . . 0.0 110.22 -171.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -97.49 3.39 50.76 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.897 1.679 . . . . 0.0 109.249 -173.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.27 25.07 2.0 Allowed 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.308 1.043 . . . . 0.0 110.197 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -133.62 174.95 9.88 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.5 p -107.09 178.14 4.65 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.318 -2.105 . . . . 0.0 105.318 169.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.4 66.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 123.958 0.903 . . . . 0.0 111.291 -177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -73.99 -29.83 62.17 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.409 1.484 . . . . 0.0 111.225 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -79.49 -49.43 12.29 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 123.707 0.803 . . . . 0.0 109.208 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -55.31 -39.98 70.57 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.627 1.971 . . . . 0.0 112.944 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -54.47 -49.5 69.96 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 126.906 2.082 . . . . 0.0 111.919 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.38 -42.68 96.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.341 1.456 . . . . 0.0 111.869 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.2 mt -67.07 -27.86 67.71 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.502 1.121 . . . . 0.0 113.45 -174.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -75.61 -29.72 59.31 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.852 1.261 . . . . 0.0 110.199 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -27.78 38.32 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.191 0.997 . . . . 0.0 109.847 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -88.56 -14.66 37.11 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 124.414 1.086 . . . . 0.0 111.447 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -79.42 -36.76 38.5 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 173.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -64.76 -44.32 90.45 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.927 1.691 . . . . 0.0 110.639 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -76.61 -70.0 0.48 Allowed 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 124.217 1.007 . . . . 0.0 108.468 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -94.76 98.7 10.95 Favored 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 124.909 1.284 . . . . 0.0 108.326 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -83.03 -38.63 22.32 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -85.46 66.46 9.69 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 126.848 2.059 . . . . 0.0 106.676 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.92 121.2 24.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.85 2.06 . . . . 0.0 105.755 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.9 p -94.17 167.45 11.55 Favored 'General case' 0 CA--C 1.495 -1.147 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.95 -17.0 60.62 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 123.556 0.742 . . . . 0.0 111.416 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -86.77 -35.57 19.09 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.126 1.37 . . . . 0.0 108.833 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -80.04 -38.3 32.21 Favored 'General case' 0 CA--C 1.488 -1.436 0 C-N-CA 124.952 1.301 . . . . 0.0 109.485 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -61.5 -34.28 75.23 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.661 1.184 . . . . 0.0 111.911 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -87.35 -4.88 59.05 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -90.8 -21.68 21.39 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 170.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.93 -25.82 48.59 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 171.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.01 -26.88 60.68 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.63 0.772 . . . . 0.0 110.832 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -74.55 -38.39 62.74 Favored 'General case' 0 N--CA 1.437 -1.083 0 O-C-N 121.876 -0.515 . . . . 0.0 109.745 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.93 -45.81 7.78 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -164.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.92 -29.54 65.61 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.6 37.54 6.48 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 174.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.5 mt -104.24 -163.81 1.0 Allowed 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -108.44 -177.95 3.46 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 171.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.18 -39.69 65.41 Favored 'General case' 0 CA--C 1.496 -1.123 0 C-N-CA 124.019 0.927 . . . . 0.0 109.165 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -69.58 -27.79 65.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.282 2.233 . . . . 0.0 112.752 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -70.08 -46.09 65.63 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 124.058 0.943 . . . . 0.0 109.962 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.84 -19.48 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 C-N-CA 125.68 1.592 . . . . 0.0 109.157 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -64.26 -48.48 75.59 Favored 'General case' 0 CA--C 1.494 -1.185 0 C-N-CA 125.91 1.684 . . . . 0.0 110.167 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.06 -43.41 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 C-N-CA 128.385 2.674 . . . . 0.0 110.442 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -62.75 -43.57 98.45 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 124.723 1.209 . . . . 0.0 111.888 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -75.31 -25.68 58.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.291 0.636 . . . . 0.0 110.594 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -70.15 -27.59 64.67 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.095 0.958 . . . . 0.0 111.194 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.88 -47.3 53.78 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.356 1.062 . . . . 0.0 109.579 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -70.25 -30.93 68.11 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -176.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -79.94 -26.03 40.22 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 124.186 0.994 . . . . 0.0 110.024 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.4 -5.24 58.94 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.805 0.842 . . . . 0.0 111.344 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -63.06 -56.93 12.72 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 166.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.1 145.7 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.267 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -72.33 -42.27 65.58 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 124.301 1.041 . . . . 0.0 109.7 -176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -86.13 162.78 18.22 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.98 82.6 0.57 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 174.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -91.27 116.39 28.79 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -119.66 179.81 4.12 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.618 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -178.093 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 CA-C-O 118.297 -1.279 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -78.63 -11.66 15.45 Favored 'Trans proline' 0 CA--C 1.508 -0.807 0 C-N-CA 123.255 2.637 . . . . 0.0 110.631 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -112.28 -167.04 1.13 Allowed 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.27 94.98 9.47 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -152.93 154.77 35.7 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -134.26 163.65 29.15 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -96.54 155.12 16.9 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.4 mmt-85 -117.71 150.26 46.6 Favored Pre-proline 0 N--CA 1.442 -0.84 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 -175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.01 109.78 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.847 2.365 . . . . 0.0 111.264 -159.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -121.76 -73.43 0.65 Allowed 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 102.158 -3.275 . . . . 0.0 102.158 170.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -108.25 -19.09 13.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 166.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.26 -147.16 0.26 Allowed 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 124.418 1.087 . . . . 0.0 111.016 -159.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -101.77 178.26 4.67 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 125.224 1.41 . . . . 0.0 109.404 -162.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 p -119.16 -171.19 2.06 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.571 -2.752 . . . . 0.0 103.571 163.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.68 -33.41 66.5 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 123.53 0.732 . . . . 0.0 110.625 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -77.45 -24.46 50.29 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.468 1.507 . . . . 0.0 111.761 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.15 -41.73 27.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 123.289 0.636 . . . . 0.0 109.528 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD22 ' HE1' ' A' ' 53' ' ' TRP . 81.1 mt -63.84 -42.67 97.55 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.74 1.216 . . . . 0.0 113.469 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -71.27 -28.78 64.38 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.682 0.793 . . . . 0.0 112.316 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -72.48 -32.54 66.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.035 1.334 . . . . 0.0 110.445 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.62 -22.9 58.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.381 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -78.34 -23.25 47.06 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.082 0.856 . . . . 0.0 109.854 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.23 -22.33 41.89 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 124.128 0.971 . . . . 0.0 110.015 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.53 -37.59 22.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.382 1.073 . . . . 0.0 109.126 172.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.34 -30.71 68.8 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.684 1.594 . . . . 0.0 112.48 -168.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.77 -40.37 96.52 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 m -92.03 -47.88 7.04 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -118.86 111.05 17.92 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.541 -1.209 . . . . 0.0 108.82 -163.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.43 -74.2 0.36 Allowed 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 167.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.27 99.53 7.12 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.103 1.361 . . . . 0.0 108.762 -166.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD22 ' HE ' ' A' ' 35' ' ' ARG . 81.5 mt -74.71 169.02 18.68 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 113.848 -1.524 . . . . 0.0 109.583 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.2 p -94.06 178.15 5.74 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.4 -29.61 63.9 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -82.76 -40.11 20.94 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 124.881 1.272 . . . . 0.0 111.314 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HE ' HD22 ' A' ' 31' ' ' LEU . 57.5 mtp85 -68.11 -47.43 68.2 Favored 'General case' 0 CA--C 1.491 -1.307 0 C-N-CA 124.571 1.148 . . . . 0.0 109.521 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -64.56 -39.61 94.07 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.745 1.218 . . . . 0.0 112.165 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.68 -8.32 59.14 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 122.863 0.465 . . . . 0.0 111.788 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.2 t -92.64 -18.84 22.52 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -79.23 -23.17 43.92 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 170.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.67 -26.27 60.66 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.062 0.945 . . . . 0.0 110.882 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -82.1 -28.23 32.42 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 121.822 -0.549 . . . . 0.0 110.027 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -81.63 -69.66 0.6 Allowed 'General case' 0 CA--C 1.491 -1.298 0 C-N-CA 123.892 0.877 . . . . 0.0 112.234 -164.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.7 mt -75.18 -26.02 58.73 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 126.299 1.84 . . . . 0.0 107.963 -177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.76 42.72 2.82 Favored Glycine 0 CA--C 1.487 -1.707 0 N-CA-C 107.283 -2.327 . . . . 0.0 107.283 171.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.9 -164.72 1.15 Allowed 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -115.11 -174.15 2.44 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 103.102 -2.925 . . . . 0.0 103.102 164.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.31 -41.17 57.53 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -64.61 -29.84 70.86 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 127.53 2.332 . . . . 0.0 113.264 -173.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -69.46 -35.75 75.92 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.232 1.013 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.2 mt -83.91 -22.46 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 123.388 0.675 . . . . 0.0 109.487 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -70.96 -32.53 69.42 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.792 0.837 . . . . 0.0 110.699 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.0 mt -68.37 -42.75 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 C-N-CA 126.799 2.04 . . . . 0.0 109.407 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.4 ' HE1' HD22 ' A' ' 18' ' ' LEU . 69.2 t90 -63.04 -30.67 71.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.927 1.691 . . . . 0.0 112.114 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -80.36 -28.43 38.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.079 0.952 . . . . 0.0 110.228 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.24 -26.96 62.22 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 118.97 0.804 . . . . 0.0 110.677 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -75.78 -57.59 3.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 124.81 1.244 . . . . 0.0 110.121 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.3 -41.24 90.04 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.505 1.522 . . . . 0.0 113.146 -172.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -77.26 -18.74 57.38 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 122.943 0.497 . . . . 0.0 111.878 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.4 -18.52 48.67 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.052 0.941 . . . . 0.0 111.655 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -77.86 -33.88 51.98 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.474 -0.766 . . . . 0.0 109.506 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -87.18 151.56 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -95.39 83.03 3.76 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -102.04 -87.95 0.39 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' H ' ' H ' ' A' ' 65' ' ' THR . . . -143.81 -23.96 0.57 Allowed 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.413 ' H ' ' H ' ' A' ' 64' ' ' ALA . 58.2 m -69.31 -49.23 57.77 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 125.921 1.688 . . . . 0.0 108.541 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -84.98 -75.11 0.37 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.674 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -178.657 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.38 -12.92 18.8 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 123.747 2.965 . . . . 0.0 110.433 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -87.49 168.58 12.96 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.266 1.427 . . . . 0.0 110.102 -172.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.98 -95.48 0.21 Allowed 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 m -126.29 -145.57 0.32 Allowed 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -85.81 130.63 34.5 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -116.25 -169.73 1.67 Allowed 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 121.611 0.72 . . . . 0.0 109.283 -166.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 158.6 58.6 Favored Pre-proline 0 N--CA 1.441 -0.877 0 C-N-CA 126.289 1.835 . . . . 0.0 107.868 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.83 154.91 34.4 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 122.732 2.288 . . . . 0.0 109.894 173.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 72.37 -177.36 0.19 Allowed 'General case' 0 C--N 1.356 0.871 0 C-N-CA 126.499 1.92 . . . . 0.0 112.451 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.4 m -100.48 77.69 1.95 Allowed 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.73 99.27 8.02 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -91.9 166.4 12.74 Favored 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.5 p -103.01 -179.08 3.85 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.48 67.61 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.257 1.023 . . . . 0.0 110.97 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -75.27 -29.52 60.16 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.416 1.486 . . . . 0.0 111.19 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.37 -49.04 12.03 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 123.454 0.702 . . . . 0.0 109.277 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 mt -51.65 -44.61 63.06 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 126.242 1.817 . . . . 0.0 112.835 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -53.84 -49.15 69.06 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.831 2.052 . . . . 0.0 112.72 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -39.87 95.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.402 1.881 . . . . 0.0 111.787 -177.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.8 -29.53 62.22 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 124.63 1.172 . . . . 0.0 111.851 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -82.24 -21.89 36.09 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.976 1.31 . . . . 0.0 110.035 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.59 -34.56 35.13 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 109.075 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.95 -54.72 7.31 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.85 1.26 . . . . 0.0 110.259 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -73.9 -25.3 59.93 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.693 1.197 . . . . 0.0 111.873 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -71.12 -48.17 53.76 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.851 0.86 . . . . 0.0 110.703 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.4 m -73.05 -69.8 0.4 Allowed 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.268 1.027 . . . . 0.0 108.52 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -100.55 112.72 25.14 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 105.804 -1.925 . . . . 0.0 105.804 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.41 20.13 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -68.95 97.56 0.86 Allowed 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.612 1.565 . . . . 0.0 110.735 -166.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.613 HD12 ' HE ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -94.62 124.88 38.92 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 112.858 -1.974 . . . . 0.0 106.372 -171.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -101.33 178.41 4.65 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.93 -31.84 64.88 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.664 1.186 . . . . 0.0 108.552 173.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -76.92 -38.53 53.26 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 125.523 1.529 . . . . 0.0 110.364 -172.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.439 HH21 HD22 ' A' ' 31' ' ' LEU . 24.5 mtp85 -72.65 -43.7 62.84 Favored 'General case' 0 CA--C 1.489 -1.367 0 C-N-CA 124.889 1.276 . . . . 0.0 109.446 175.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.613 ' HE ' HD12 ' A' ' 31' ' ' LEU . 27.8 ttm180 -59.8 -34.0 72.46 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -88.1 -5.64 58.35 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 122.534 0.334 . . . . 0.0 110.826 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.1 m -89.69 -24.53 21.56 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.77 -29.94 56.3 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.24 64.26 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 123.666 0.786 . . . . 0.0 110.37 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -72.81 -40.92 65.44 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.372 0.669 . . . . 0.0 109.8 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -92.51 -45.33 8.18 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -162.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -72.27 -30.39 64.8 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.18 39.09 6.15 Favored Glycine 0 CA--C 1.492 -1.4 0 N-CA-C 107.833 -2.107 . . . . 0.0 107.833 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.4 mt -105.7 -169.01 1.52 Allowed 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.433 ' H ' HE21 ' A' ' 49' ' ' GLN . 72.1 m-80 -107.53 -179.3 3.87 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 170.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.47 -34.12 58.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 123.781 0.832 . . . . 0.0 109.277 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -70.31 -30.24 67.17 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.432 2.293 . . . . 0.0 112.894 -169.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.433 HE21 ' H ' ' A' ' 46' ' ' ASN . 34.6 mt-30 -82.86 -31.52 27.93 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 123.326 0.65 . . . . 0.0 110.115 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.459 HG22 ' CE2' ' A' ' 54' ' ' PHE . 6.9 mt -84.51 -15.21 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -48.43 81.21 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.879 1.672 . . . . 0.0 108.763 176.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.31 -46.64 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.158 0 C-N-CA 128.266 2.626 . . . . 0.0 109.95 176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.67 -40.03 90.59 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.527 1.131 . . . . 0.0 112.927 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 50' ' ' ILE . 26.0 m-85 -74.47 -31.95 62.4 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 124.03 0.932 . . . . 0.0 111.11 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -71.71 -25.74 62.2 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 111.379 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -70.7 -44.59 66.61 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.716 1.206 . . . . 0.0 110.091 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -67.51 -29.53 68.97 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 124.59 1.156 . . . . 0.0 112.842 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -83.37 -17.33 42.7 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 124.576 1.151 . . . . 0.0 110.585 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.29 -5.7 57.36 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.097 0.959 . . . . 0.0 111.777 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -70.63 -45.03 65.97 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 123.654 0.781 . . . . 0.0 110.61 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.0 tt -71.11 -24.05 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 125.331 1.452 . . . . 0.0 112.392 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.21 99.59 1.93 Allowed 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 123.581 0.752 . . . . 0.0 111.03 -171.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -98.81 -171.53 2.12 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.37 -62.52 1.65 Allowed 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 174.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.9 m -94.11 94.55 8.45 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 104.2 -2.519 . . . . 0.0 104.2 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -96.59 138.07 34.71 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.638 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.7 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.609 -0.597 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.6 -8.03 16.93 Favored 'Trans proline' 0 CA--C 1.51 -0.695 0 C-N-CA 123.808 3.006 . . . . 0.0 110.424 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.0 -178.47 4.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 125.708 1.603 . . . . 0.0 107.246 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.75 127.22 33.64 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 173.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -83.11 125.86 31.96 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -172.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -98.18 150.74 21.16 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.01 135.87 43.7 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 172.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.59 137.41 23.33 Favored Pre-proline 0 N--CA 1.44 -0.953 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.38 78.27 3.77 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.519 2.813 . . . . 0.0 108.736 163.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -118.01 179.83 3.97 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -76.43 -48.19 20.55 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.345 1.858 . . . . 0.0 106.606 165.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.73 -125.36 0.2 Allowed 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.016 -162.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -66.33 162.86 19.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 127.914 2.486 . . . . 0.0 112.055 -172.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.7 p -113.2 -176.88 3.0 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 169.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.37 61.9 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.369 0.668 . . . . 0.0 110.988 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.01 -27.05 61.55 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.955 1.702 . . . . 0.0 111.509 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -87.77 -45.64 10.15 Favored 'General case' 0 N--CA 1.437 -1.119 0 C-N-CA 123.653 0.781 . . . . 0.0 109.369 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.84 -40.58 93.35 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.937 1.695 . . . . 0.0 113.287 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -68.08 -29.24 68.15 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 124.039 0.935 . . . . 0.0 111.908 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.4 ttm-85 -73.87 -35.01 64.69 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.548 1.539 . . . . 0.0 110.622 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.6 mt -74.73 -23.01 58.51 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 124.046 0.938 . . . . 0.0 111.77 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -82.15 -21.69 36.46 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.416 1.086 . . . . 0.0 109.536 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -30.59 44.69 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.144 0.978 . . . . 0.0 109.752 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -39.35 63.65 Favored 'General case' 0 C--N 1.361 1.068 0 C-N-CA 124.149 0.979 . . . . 0.0 109.263 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -69.11 -29.9 68.06 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 125.716 1.606 . . . . 0.0 110.55 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -68.59 -46.41 69.44 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.448 1.099 . . . . 0.0 110.817 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.9 m -76.88 -69.72 0.5 Allowed 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 124.068 0.947 . . . . 0.0 108.738 -176.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.47 106.36 18.63 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -75.18 -59.08 2.9 Favored 'General case' 0 N--CA 1.435 -1.217 0 C-N-CA 123.895 0.878 . . . . 0.0 110.237 -170.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.45 71.05 3.15 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.01 138.28 58.36 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 128.275 2.63 . . . . 0.0 108.726 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.1 p -92.08 167.53 12.01 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.486 1.115 . . . . 0.0 108.71 -166.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -72.57 -21.65 61.11 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 125.48 1.512 . . . . 0.0 110.052 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.04 -44.26 14.3 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.914 1.286 . . . . 0.0 109.941 -173.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.6 mtp-105 -78.09 -24.11 47.69 Favored 'General case' 0 CA--C 1.5 -0.945 0 C-N-CA 123.902 0.881 . . . . 0.0 109.695 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -57.79 -20.87 38.58 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -79.19 -16.66 56.24 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 121.423 -0.798 . . . . 0.0 111.188 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 m -87.65 -27.87 22.2 Favored 'General case' 0 CA--C 1.498 -1.046 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.79 -21.09 57.71 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 123.529 0.731 . . . . 0.0 109.439 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.21 -26.91 62.22 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.203 1.001 . . . . 0.0 110.764 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -86.53 -22.44 26.36 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.712 -0.618 . . . . 0.0 109.624 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -76.09 -68.43 0.58 Allowed 'General case' 0 CA--C 1.492 -1.254 0 C-N-CA 124.607 1.163 . . . . 0.0 112.438 -166.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -77.31 -27.21 52.82 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.178 1.391 . . . . 0.0 107.601 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.46 37.38 4.04 Favored Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 174.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.43 -158.16 0.65 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -110.64 -167.82 1.23 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -74.58 -45.95 41.9 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 168.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 m -56.03 -38.75 70.96 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 129.091 2.956 . . . . 0.0 115.231 -168.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -70.64 -41.51 72.06 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 124.392 1.077 . . . . 0.0 110.492 -175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 mt -85.6 -14.31 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 126.117 1.767 . . . . 0.0 108.398 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -70.91 -42.63 69.67 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 125.182 1.393 . . . . 0.0 107.963 -177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.93 -46.61 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 C-N-CA 127.182 2.193 . . . . 0.0 109.538 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -58.02 -46.16 85.74 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.146 1.378 . . . . 0.0 112.377 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -79.15 -24.87 43.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 123.027 0.531 . . . . 0.0 111.148 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.03 -24.66 63.31 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.622 1.101 . . . . 0.0 111.278 176.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -74.83 -56.03 5.2 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 124.077 0.951 . . . . 0.0 109.066 174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -44.21 94.32 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.998 1.319 . . . . 0.0 113.996 -173.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -71.12 -28.26 64.17 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.233 1.013 . . . . 0.0 111.701 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.48 -34.19 58.67 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 123.819 0.848 . . . . 0.0 110.941 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.24 -52.3 35.61 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.379 1.071 . . . . 0.0 110.604 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.1 tt -71.92 146.32 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.286 0 CA-C-O 121.832 0.825 . . . . 0.0 111.599 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -110.65 -76.06 0.61 Allowed 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -119.37 -84.73 0.66 Allowed 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.91 -54.95 2.85 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.512 1.125 . . . . 0.0 108.148 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 t -78.67 150.57 32.56 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.167 0.987 . . . . 0.0 109.017 -175.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -130.65 172.3 12.1 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.65 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 178.664 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -78.25 -7.93 16.21 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.222 2.615 . . . . 0.0 110.637 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.0 ptm -117.45 18.54 14.3 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.794 1.238 . . . . 0.0 108.456 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.03 -146.77 0.2 Allowed 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -92.01 -177.56 4.74 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.98 144.27 31.95 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -112.54 -170.29 1.64 Allowed 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -171.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -92.31 146.52 32.73 Favored Pre-proline 0 N--CA 1.441 -0.895 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.69 171.74 16.2 Favored 'Trans proline' 0 CA--C 1.506 -0.89 0 C-N-CA 123.137 2.558 . . . . 0.0 110.057 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -95.53 -79.96 0.43 Allowed 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 t -93.26 -22.08 19.22 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 124.925 1.29 . . . . 0.0 108.911 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.09 -168.7 2.26 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 122.02 0.914 . . . . 0.0 111.611 -161.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -95.94 161.99 13.76 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 124.815 1.246 . . . . 0.0 109.618 -166.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 48.0 p -115.16 -171.87 2.03 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 104.318 -2.475 . . . . 0.0 104.318 167.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.43 63.24 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 123.929 0.892 . . . . 0.0 110.905 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -79.0 -23.56 44.31 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 125.595 1.558 . . . . 0.0 111.46 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -83.62 -47.49 11.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.3 -25.73 62.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.063 1.745 . . . . 0.0 113.385 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 tm0? -57.54 -52.57 64.87 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 125.502 1.521 . . . . 0.0 111.477 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -62.14 -47.29 85.22 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.932 1.693 . . . . 0.0 111.33 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.2 mt -69.73 -33.08 71.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 124.207 1.003 . . . . 0.0 113.615 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -84.89 -24.1 28.64 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 124.308 1.043 . . . . 0.0 109.716 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.58 67.58 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 123.926 0.891 . . . . 0.0 109.967 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -90.55 -12.25 37.66 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -71.75 -33.29 68.54 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.013 0.824 . . . . 0.0 109.114 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.3 -42.0 90.3 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.865 1.666 . . . . 0.0 111.516 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.9 m -81.39 -72.18 0.44 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -101.03 131.25 47.01 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 125.635 1.574 . . . . 0.0 109.126 -167.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -95.58 -60.76 1.59 Allowed 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 167.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -79.55 100.36 7.73 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 123.844 0.857 . . . . 0.0 109.787 -165.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.46 161.34 26.14 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.222 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.4 p -101.69 176.8 5.1 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.904 -2.258 . . . . 0.0 104.904 167.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.35 -25.89 60.79 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -86.77 -35.33 19.23 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.701 1.201 . . . . 0.0 110.984 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -66.81 -47.5 71.85 Favored 'General case' 0 CA--C 1.493 -1.212 0 C-N-CA 124.573 1.149 . . . . 0.0 108.544 174.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -58.52 -36.07 73.27 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.023 1.729 . . . . 0.0 112.952 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.54 -27.31 68.36 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 126.072 1.749 . . . . 0.0 112.132 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -83.61 -34.39 25.13 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.25 -26.56 65.74 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 124.554 1.141 . . . . 0.0 109.698 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.04 -28.92 63.68 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.717 1.607 . . . . 0.0 111.242 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -76.32 -30.47 57.7 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 121.6 -0.688 . . . . 0.0 110.226 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -68.27 -71.13 0.22 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -170.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 mt -77.12 -27.62 54.07 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 125.532 1.533 . . . . 0.0 108.617 -172.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.52 41.25 2.22 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -98.19 -169.33 1.79 Allowed 'General case' 0 CA--C 1.504 -0.822 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -108.41 178.0 4.63 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -73.73 -36.97 65.25 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -65.66 -34.61 78.62 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.943 2.097 . . . . 0.0 111.706 -174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -66.79 -44.95 79.92 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.87 1.268 . . . . 0.0 111.053 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.1 mt -86.22 -16.3 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 C-N-CA 124.54 1.136 . . . . 0.0 109.573 -171.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -67.66 -51.96 43.7 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 124.324 1.05 . . . . 0.0 108.976 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.61 -44.9 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.245 0 C-N-CA 128.088 2.555 . . . . 0.0 110.317 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -61.56 -43.99 97.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.177 1.391 . . . . 0.0 112.071 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -70.89 -34.56 71.69 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 118.642 0.655 . . . . 0.0 110.398 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.42 -24.36 63.82 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.039 0.935 . . . . 0.0 112.187 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.05 -44.92 52.52 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.937 1.295 . . . . 0.0 109.789 176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -65.8 -36.07 82.47 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.806 1.242 . . . . 0.0 112.379 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -79.03 -20.5 48.8 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.115 1.366 . . . . 0.0 111.311 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.88 -28.49 44.13 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.264 1.026 . . . . 0.0 110.777 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -70.64 -32.72 70.13 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.514 1.125 . . . . 0.0 110.506 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.1 mt -80.75 134.06 28.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -38.1 21.73 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 123.992 0.917 . . . . 0.0 110.094 -173.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -98.21 -143.82 0.31 Allowed 'General case' 0 C--N 1.356 0.885 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.83 -50.43 3.54 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 172.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.0 m -88.88 165.42 14.64 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 76.99 -155.56 0.03 OUTLIER 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.186 1.794 . . . . 0.0 109.516 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.668 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -178.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.86 -5.95 14.89 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.727 2.951 . . . . 0.0 110.798 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 35.9 mmt -88.5 106.68 18.44 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.01 -110.59 0.14 Allowed 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 103.424 -2.806 . . . . 0.0 103.424 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -85.1 106.33 16.48 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' A' ' 8' ' ' ARG . 27.6 m-20 -128.18 -153.98 0.6 Allowed 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 -176.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -104.7 14.68 29.32 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.458 ' H ' ' HB2' ' A' ' 6' ' ' ASP . 79.8 ttt180 -120.14 135.76 24.61 Favored Pre-proline 0 N--CA 1.436 -1.132 0 N-CA-C 103.509 -2.774 . . . . 0.0 103.509 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HG2' HE22 ' A' ' 49' ' ' GLN . 87.9 Cg_endo -87.23 49.96 2.0 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.056 2.504 . . . . 0.0 110.459 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 62.22 -108.68 0.3 Allowed 'General case' 0 C--N 1.359 1.014 0 C-N-CA 126.315 1.846 . . . . 0.0 111.281 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -123.68 -32.81 3.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 173.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.4 142.56 58.15 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.213 1.405 . . . . 0.0 112.911 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -107.95 174.86 5.69 Favored 'General case' 0 CA--C 1.5 -0.962 0 C-N-CA 124.925 1.29 . . . . 0.0 108.504 -174.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.6 p -104.11 -179.19 3.88 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.27 68.81 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 124.484 1.113 . . . . 0.0 111.337 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.31 -29.97 60.21 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.45 1.5 . . . . 0.0 110.97 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -78.23 -52.1 9.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.497 1.119 . . . . 0.0 109.487 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 mt -50.48 -47.27 57.22 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.623 1.969 . . . . 0.0 112.916 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -44.68 -59.54 2.44 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.79 2.436 . . . . 0.0 113.439 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HE ' HD21 ' A' ' 43' ' ' LEU . 66.9 ttp85 -62.76 -43.0 99.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.557 1.543 . . . . 0.0 112.3 -177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.02 -30.81 71.41 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.397 1.079 . . . . 0.0 113.029 -175.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -74.91 -31.14 61.48 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.322 1.049 . . . . 0.0 110.323 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.13 32.24 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.123 0.969 . . . . 0.0 110.399 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -83.1 -36.87 24.5 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.192 0.997 . . . . 0.0 110.694 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -76.97 -18.87 57.94 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.106 0.962 . . . . 0.0 110.653 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -66.37 -41.29 89.68 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 109.921 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 m -76.68 -66.26 0.83 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 124.678 1.191 . . . . 0.0 108.459 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.54 91.22 8.72 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.987 1.715 . . . . 0.0 108.077 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -82.43 -48.15 11.43 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 124.594 1.158 . . . . 0.0 108.303 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -86.12 71.68 10.52 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 125.918 1.687 . . . . 0.0 106.673 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -84.79 135.44 34.11 Favored 'General case' 0 N--CA 1.432 -1.337 0 C-N-CA 128.015 2.526 . . . . 0.0 107.614 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.7 p -99.94 172.09 7.44 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 124.334 1.054 . . . . 0.0 108.639 -167.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -20.13 60.2 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.513 1.125 . . . . 0.0 111.216 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -83.5 -36.29 24.21 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.347 1.459 . . . . 0.0 108.777 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -70.8 -47.1 61.29 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.5 1.12 . . . . 0.0 109.066 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -57.31 -35.7 70.16 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.425 1.49 . . . . 0.0 113.681 -174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -85.57 -6.98 59.11 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 123.313 0.645 . . . . 0.0 110.951 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -97.87 -18.73 18.54 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -79.44 -23.33 43.21 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 170.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -26.89 61.38 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.496 1.118 . . . . 0.0 110.332 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -81.39 -26.57 35.34 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.715 -0.615 . . . . 0.0 110.048 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -81.51 -66.66 0.86 Allowed 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -163.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.445 HD21 ' HE ' ' A' ' 20' ' ' ARG . 63.6 mt -74.81 -27.8 60.45 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 124.904 1.282 . . . . 0.0 108.027 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.09 42.07 2.89 Favored Glycine 0 CA--C 1.49 -1.501 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.9 mt -101.32 -162.11 0.91 Allowed 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -113.36 -179.05 3.53 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 170.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.36 -40.68 64.19 Favored 'General case' 0 CA--C 1.494 -1.189 0 C-N-CA 123.77 0.828 . . . . 0.0 108.79 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -66.7 -34.57 78.15 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 127.21 2.204 . . . . 0.0 112.733 -166.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.482 HE22 ' HG2' ' A' ' 9' ' ' PRO . 35.4 mt-30 -70.51 -38.71 74.31 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 123.906 0.882 . . . . 0.0 111.22 -177.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt -86.59 -19.84 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 123.949 0.899 . . . . 0.0 109.253 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -66.0 -42.43 89.74 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 124.478 1.111 . . . . 0.0 109.757 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.61 -47.8 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 C-N-CA 127.709 2.403 . . . . 0.0 109.891 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -61.62 -38.55 88.04 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.607 1.563 . . . . 0.0 112.698 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -73.58 -35.76 65.49 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.354 1.062 . . . . 0.0 109.869 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -78.93 -15.97 57.61 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.91 1.284 . . . . 0.0 112.319 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.65 -44.29 57.19 Favored 'General case' 0 CA--C 1.502 -0.88 0 C-N-CA 124.383 1.073 . . . . 0.0 108.172 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -69.0 -25.2 64.39 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.674 1.19 . . . . 0.0 112.568 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -70.79 -30.25 66.67 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 123.84 0.856 . . . . 0.0 110.747 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.41 -30.76 47.88 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.344 1.058 . . . . 0.0 110.216 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -91.7 30.45 1.35 Allowed 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.646 1.178 . . . . 0.0 111.21 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.7 mt -88.57 -76.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 104.857 -2.275 . . . . 0.0 104.857 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -160.86 -49.52 0.05 OUTLIER 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 101.712 -3.44 . . . . 0.0 101.712 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.88 -175.24 2.74 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 124.794 1.237 . . . . 0.0 107.85 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.04 -40.3 17.0 Favored 'General case' 0 CA--C 1.503 -0.853 0 C-N-CA 124.428 1.091 . . . . 0.0 110.684 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 66' ' ' GLN . 1.9 m -84.14 170.77 13.47 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -175.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' H ' HG22 ' A' ' 65' ' ' THR . 31.5 tt0 -80.73 -59.79 2.55 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.586 0 CA-C-O 118.001 -0.999 . . . . 0.0 108.53 176.434 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.17 0.78 9.73 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.691 2.928 . . . . 0.0 110.648 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.7 mtm -90.5 172.34 8.78 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.773 1.229 . . . . 0.0 108.408 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.72 169.85 10.94 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 123.71 0.804 . . . . 0.0 108.873 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -90.72 145.56 24.71 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -94.24 -166.16 1.44 Allowed 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -94.83 133.96 37.98 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -125.53 146.84 56.02 Favored Pre-proline 0 N--CA 1.44 -0.96 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.61 151.02 28.38 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.401 2.068 . . . . 0.0 110.432 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 71.53 149.2 0.09 Allowed 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 127.446 2.298 . . . . 0.0 114.322 174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -119.32 5.03 11.2 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.401 1.48 . . . . 0.0 107.685 -175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.89 21.36 3.64 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 124.276 1.03 . . . . 0.0 110.326 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -127.01 175.47 8.07 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.3 p -108.36 179.59 4.16 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 168.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.49 71.5 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 124.133 0.973 . . . . 0.0 111.401 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -82.18 -24.3 35.05 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.774 1.229 . . . . 0.0 111.42 -174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.41 -43.56 27.1 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.57 -49.46 77.45 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 125.276 1.43 . . . . 0.0 110.802 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.02 -51.89 48.49 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 128.986 2.914 . . . . 0.0 113.366 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.36 -42.3 95.48 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 126.054 1.742 . . . . 0.0 111.307 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.04 -19.88 61.77 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -67.16 -30.59 70.61 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-N 119.15 0.886 . . . . 0.0 110.676 176.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.32 -37.66 32.15 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 124.253 1.021 . . . . 0.0 109.351 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -69.68 -32.6 71.31 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.593 1.557 . . . . 0.0 110.95 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -58.76 -36.27 74.11 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 125.779 1.631 . . . . 0.0 111.995 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.42 -53.34 29.94 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.513 1.125 . . . . 0.0 111.551 -176.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.6 m -81.08 -66.91 0.83 Allowed 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 109.033 -174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.47 81.17 2.31 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 126.213 1.805 . . . . 0.0 107.741 -172.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -83.62 -50.15 8.49 Favored 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -88.74 78.82 7.6 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.679 1.592 . . . . 0.0 106.823 -173.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.37 159.33 21.39 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 126.624 1.97 . . . . 0.0 110.768 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.3 p -108.19 170.43 8.01 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 173.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -73.8 -27.83 61.33 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.635 0.774 . . . . 0.0 109.371 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -79.38 -33.22 42.98 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.007 1.723 . . . . 0.0 110.729 -171.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -73.26 -50.39 22.54 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -60.0 -27.94 67.29 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -168.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -82.25 -11.39 58.69 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 123.945 0.898 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 t -102.19 -16.06 16.47 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -81.3 -27.22 35.14 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 169.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.12 -24.52 59.46 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 124.884 1.274 . . . . 0.0 109.996 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.98 -31.75 34.65 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -77.28 -69.7 0.51 Allowed 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 124.079 0.952 . . . . 0.0 113.221 -164.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.61 -31.75 67.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 125.488 1.515 . . . . 0.0 107.65 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.42 42.08 2.43 Favored Glycine 0 CA--C 1.489 -1.564 0 N-CA-C 106.869 -2.492 . . . . 0.0 106.869 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -97.09 -162.46 0.96 Allowed 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -116.45 -179.23 3.62 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 103.632 -2.729 . . . . 0.0 103.632 168.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.62 -36.86 62.94 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 170.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.3 m -60.47 -35.0 74.84 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 127.48 2.312 . . . . 0.0 112.656 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -67.14 -42.88 83.66 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 125.071 1.348 . . . . 0.0 111.121 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -82.7 -26.23 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.97 1.308 . . . . 0.0 109.587 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -63.56 -40.1 96.12 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.414 1.086 . . . . 0.0 110.63 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.3 mt -70.89 -49.28 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 C-N-CA 126.087 1.755 . . . . 0.0 109.77 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -58.59 -42.01 87.09 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.428 1.891 . . . . 0.0 112.7 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -73.21 -40.32 64.82 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 124.082 0.953 . . . . 0.0 111.099 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -73.13 -24.75 60.65 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.284 1.034 . . . . 0.0 112.074 -177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -75.6 -38.69 58.87 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.093 1.357 . . . . 0.0 109.064 175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -70.16 -9.35 55.4 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 126.083 1.753 . . . . 0.0 115.213 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -77.58 -29.49 52.08 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 124.282 1.033 . . . . 0.0 109.831 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.6 -25.48 49.92 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.606 1.162 . . . . 0.0 110.708 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -73.37 -43.95 59.6 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 124.302 1.041 . . . . 0.0 111.029 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -54.79 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -176.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -102.24 96.36 6.92 Favored 'General case' 0 CA--C 1.496 -1.107 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -103.62 -160.73 0.79 Allowed 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.83 -75.47 0.22 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.6 m -96.13 107.56 19.89 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -84.45 -71.81 0.5 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.72 0 CA-C-O 117.917 -1.04 . . . . 0.0 108.257 177.774 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.43 -9.99 17.44 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 123.373 2.716 . . . . 0.0 110.554 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -109.05 17.2 21.93 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.552 1.541 . . . . 0.0 108.43 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.49 -117.77 0.22 Allowed 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 103.812 -2.662 . . . . 0.0 103.812 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -92.93 103.56 15.88 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 176.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -90.58 151.11 21.46 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -92.26 151.47 20.31 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -133.38 167.65 21.86 Favored Pre-proline 0 N--CA 1.438 -1.051 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -70.78 100.68 0.97 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.152 2.568 . . . . 0.0 108.724 162.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -83.65 149.69 26.36 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 124.383 1.073 . . . . 0.0 109.077 -172.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -95.21 80.59 3.58 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.93 70.42 3.36 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 106.803 -1.555 . . . . 0.0 106.803 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -88.51 171.0 10.4 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 124.638 1.175 . . . . 0.0 108.1 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 76.1 p -100.32 178.96 4.6 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.82 70.13 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.843 0.857 . . . . 0.0 111.275 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -76.79 -25.24 53.12 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.186 1.395 . . . . 0.0 111.263 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.84 -53.49 7.04 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.698 0.799 . . . . 0.0 109.255 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.95 -52.86 47.33 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 126.609 1.964 . . . . 0.0 113.405 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.26 -33.14 73.04 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.869 1.268 . . . . 0.0 113.741 -171.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 ttm-85 -73.75 -39.29 64.33 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.077 1.351 . . . . 0.0 110.645 -177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.43 -22.97 56.92 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.109 0.964 . . . . 0.0 111.97 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -84.58 -28.11 26.79 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 125.038 1.335 . . . . 0.0 109.143 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.37 -16.59 54.15 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.2 1.0 . . . . 0.0 109.841 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -84.84 -46.14 11.63 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 171.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.53 -38.28 63.63 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.949 2.1 . . . . 0.0 113.469 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.91 -54.88 28.28 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 125.042 1.337 . . . . 0.0 114.0 -172.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.5 m -91.15 -54.39 3.96 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -105.44 104.07 13.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.807 1.243 . . . . 0.0 109.22 -166.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -93.71 -73.77 0.56 Allowed 'General case' 0 CA--C 1.49 -1.345 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -66.99 103.78 1.23 Allowed 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 124.744 1.218 . . . . 0.0 111.995 -162.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.27 157.21 37.5 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 125.782 1.633 . . . . 0.0 109.465 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.3 p -97.62 175.66 6.12 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 168.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.98 -20.95 60.18 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 121.908 -0.495 . . . . 0.0 110.21 175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -91.02 -35.83 14.42 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.934 1.294 . . . . 0.0 110.556 -173.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.29 -33.97 32.27 Favored 'General case' 0 CA--C 1.491 -1.309 0 C-N-CA 124.262 1.025 . . . . 0.0 109.448 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.67 -35.71 76.91 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 125.959 1.704 . . . . 0.0 110.956 170.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.28 -23.36 61.18 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 124.97 1.308 . . . . 0.0 111.19 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -82.73 -27.73 30.93 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.88 -24.37 55.67 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.94 -30.1 62.37 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 125.307 1.443 . . . . 0.0 110.478 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -84.17 -19.56 33.9 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.336 0.654 . . . . 0.0 109.814 177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.55 -71.07 0.41 Allowed 'General case' 0 CA--C 1.494 -1.191 0 C-N-CA 124.51 1.124 . . . . 0.0 112.351 -169.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -78.79 -27.8 44.55 Favored 'General case' 0 CA--C 1.493 -1.218 0 C-N-CA 125.809 1.644 . . . . 0.0 108.087 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.71 38.45 3.43 Favored Glycine 0 CA--C 1.49 -1.52 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HB2' HD11 ' A' ' 50' ' ' ILE . 19.6 mt -97.45 -166.92 1.45 Allowed 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -105.95 179.45 4.26 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.24 -40.98 62.03 Favored 'General case' 0 CA--C 1.495 -1.135 0 CA-C-O 121.953 0.882 . . . . 0.0 109.164 172.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.4 t -67.54 -39.75 85.0 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 127.164 2.185 . . . . 0.0 111.362 -167.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.63 -41.19 92.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 124.973 1.309 . . . . 0.0 111.481 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.415 HD11 ' HB2' ' A' ' 45' ' ' LEU . 13.9 mt -85.94 -22.62 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 124.029 0.932 . . . . 0.0 109.564 -171.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -65.53 -47.98 74.06 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.247 1.019 . . . . 0.0 109.55 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.66 -45.53 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.278 0 C-N-CA 128.015 2.526 . . . . 0.0 110.182 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.19 -45.43 91.09 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.459 1.504 . . . . 0.0 111.949 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.11 -39.06 82.9 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.987 0.915 . . . . 0.0 109.967 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.88 -23.19 62.25 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.627 1.171 . . . . 0.0 112.794 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -75.63 -39.32 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 109.666 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -73.31 -18.5 61.19 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 125.44 1.496 . . . . 0.0 112.15 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -87.98 -25.97 22.88 Favored 'General case' 0 CA--C 1.503 -0.861 0 C-N-CA 123.185 0.594 . . . . 0.0 109.638 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.2 29.67 0.83 Allowed 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.571 1.148 . . . . 0.0 111.946 -173.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -76.68 -46.36 25.99 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 170.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.407 HG12 ' H ' ' A' ' 62' ' ' LYS . 8.4 tt -79.6 -171.44 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 C-N-CA 125.536 1.534 . . . . 0.0 108.956 173.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' H ' HG12 ' A' ' 61' ' ' ILE . 49.3 mmtm -67.08 -49.07 66.27 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 125.18 1.392 . . . . 0.0 111.149 -173.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -87.58 178.39 6.79 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.93 -78.49 0.55 Allowed 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 104.208 -2.515 . . . . 0.0 104.208 169.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.3 t -116.57 0.13 12.58 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -74.76 139.42 43.35 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 125.433 1.493 . . . . 0.0 109.16 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.573 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.573 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 CA-C-O 118.303 -1.276 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.22 -10.53 14.97 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 123.213 2.609 . . . . 0.0 110.65 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.9 mmt -114.18 21.26 14.91 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.57 -158.07 0.84 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 m -94.97 167.21 11.54 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -146.24 150.85 36.59 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.93 134.25 34.96 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -122.27 141.65 35.08 Favored Pre-proline 0 N--CA 1.442 -0.867 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.23 90.86 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.554 2.836 . . . . 0.0 110.1 177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -130.95 -110.76 0.25 Allowed 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 103.541 -2.763 . . . . 0.0 103.541 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.0 m -79.92 -43.6 21.86 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 166.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.56 139.87 55.59 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 124.541 1.137 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -85.6 164.04 17.97 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.4 p -111.66 -176.11 2.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.65 67.25 Favored 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 123.624 0.769 . . . . 0.0 110.592 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.58 -25.5 54.05 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 125.894 1.678 . . . . 0.0 111.713 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -86.58 -47.89 8.82 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -175.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -51.65 -50.29 60.63 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.141 1.776 . . . . 0.0 113.341 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -62.67 -36.4 82.75 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.871 1.269 . . . . 0.0 113.787 -170.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -74.65 -36.76 62.85 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 123.995 0.918 . . . . 0.0 110.901 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.1 mt -70.95 -21.29 62.35 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.136 0.974 . . . . 0.0 112.619 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -79.54 -19.51 49.36 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.383 1.073 . . . . 0.0 110.326 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.98 -30.52 35.05 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.868 0.867 . . . . 0.0 109.581 172.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.14 -33.06 63.41 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.07 0.948 . . . . 0.0 109.976 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.39 -44.09 79.75 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.775 1.63 . . . . 0.0 109.773 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.36 -45.46 94.28 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 126.164 1.786 . . . . 0.0 112.252 -171.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -77.46 -70.15 0.49 Allowed 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -110.62 130.63 55.52 Favored 'General case' 0 N--CA 1.427 -1.608 0 C-N-CA 124.643 1.177 . . . . 0.0 109.062 -169.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -107.08 1.13 24.02 Favored 'General case' 0 CA--C 1.5 -0.949 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 161.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.14 75.28 10.35 Favored 'General case' 0 N--CA 1.435 -1.202 0 C-N-CA 126.393 1.877 . . . . 0.0 106.589 167.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD22 ' HE ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -97.42 120.26 37.46 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -172.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -100.45 174.17 6.23 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.02 -22.95 59.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 123.488 0.715 . . . . 0.0 110.39 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -86.39 -33.89 20.36 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 124.898 1.279 . . . . 0.0 109.825 -173.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HE ' HD22 ' A' ' 31' ' ' LEU . 64.2 mtp85 -71.86 -47.26 54.22 Favored 'General case' 0 CA--C 1.49 -1.337 0 C-N-CA 124.626 1.17 . . . . 0.0 108.826 173.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -56.56 -38.8 72.45 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.533 1.533 . . . . 0.0 113.31 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.81 -9.52 58.08 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 122.898 0.479 . . . . 0.0 110.924 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -94.1 -20.93 19.45 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.11 -30.39 49.46 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.58 -25.2 56.83 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 124.454 1.102 . . . . 0.0 110.976 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -78.38 -33.89 48.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -84.66 -62.85 1.45 Allowed 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -160.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -74.57 -27.34 60.45 Favored 'General case' 0 CA--C 1.491 -1.302 0 C-N-CA 124.716 1.206 . . . . 0.0 108.219 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.77 44.39 3.14 Favored Glycine 0 CA--C 1.489 -1.544 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -94.02 -167.9 1.77 Allowed 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -114.31 -178.51 3.39 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 163.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -73.44 -40.67 64.02 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.216 1.006 . . . . 0.0 109.725 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -65.36 -29.35 70.06 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 127.422 2.289 . . . . 0.0 112.781 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -72.57 -34.13 67.25 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 124.485 1.114 . . . . 0.0 110.975 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 mt -85.34 -21.83 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 123.516 0.727 . . . . 0.0 109.633 -173.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.9 -37.85 88.91 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 124.358 1.063 . . . . 0.0 110.52 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.02 -48.3 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.273 0 C-N-CA 126.614 1.966 . . . . 0.0 108.81 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -59.5 -39.75 84.81 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 126.76 2.024 . . . . 0.0 113.791 -176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -73.98 -36.93 64.59 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 123.77 0.828 . . . . 0.0 110.078 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -77.18 -15.63 59.43 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.367 1.067 . . . . 0.0 111.968 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -74.1 -39.12 63.61 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.836 1.255 . . . . 0.0 109.038 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -35.17 79.16 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.279 1.031 . . . . 0.0 111.187 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -73.86 -23.7 59.64 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 122.928 0.491 . . . . 0.0 111.187 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.92 -31.74 51.26 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 124.563 1.145 . . . . 0.0 110.622 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.18 -26.17 61.96 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 124.911 1.284 . . . . 0.0 110.586 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.3 mt -83.0 131.29 34.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 173.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -112.55 -15.7 13.0 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 123.515 0.726 . . . . 0.0 110.713 -164.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -75.64 171.12 14.87 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 121.504 0.668 . . . . 0.0 110.991 -174.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.07 -42.69 10.35 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 124.245 1.018 . . . . 0.0 110.793 -169.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.5 m -67.93 -58.34 4.7 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 124.488 1.115 . . . . 0.0 109.585 -171.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -87.93 139.0 30.97 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.608 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.309 -174.245 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -79.24 -3.02 12.79 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.897 3.065 . . . . 0.0 110.702 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.1 mtp -94.6 166.97 11.76 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 124.512 1.125 . . . . 0.0 108.898 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.36 -37.67 11.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.763 1.225 . . . . 0.0 107.781 173.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 m -81.62 167.79 18.85 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.486 1.114 . . . . 0.0 111.115 -172.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -88.5 158.89 18.19 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 123.934 0.894 . . . . 0.0 109.239 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.41 75.75 0.94 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 103.59 -2.745 . . . . 0.0 103.59 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -153.4 94.0 3.05 Favored Pre-proline 0 N--CA 1.437 -1.1 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -74.41 112.24 3.5 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.765 2.31 . . . . 0.0 108.99 166.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -90.35 -141.32 0.16 Allowed 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.5 t -79.57 -38.9 33.05 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 171.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.93 -143.11 0.39 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 171.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -108.61 177.46 4.77 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.0 p -90.53 178.57 6.07 Favored 'General case' 0 C--N 1.359 0.981 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.45 -35.41 70.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.225 0.61 . . . . 0.0 110.999 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -83.84 -25.29 30.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 124.313 1.045 . . . . 0.0 111.62 -175.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.49 -46.19 64.22 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.991 0.916 . . . . 0.0 109.138 176.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 mt -57.07 -48.12 79.35 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.72 1.608 . . . . 0.0 110.973 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.6 -48.57 69.14 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 127.735 2.414 . . . . 0.0 113.492 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -63.85 -40.74 97.3 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 124.925 1.29 . . . . 0.0 111.165 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.03 -21.5 59.93 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 118.569 -0.729 . . . . 0.0 112.611 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -70.63 -30.0 66.52 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.23 0.923 . . . . 0.0 109.555 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.11 45.26 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.209 1.004 . . . . 0.0 109.194 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -87.6 2.87 49.69 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.16 0.984 . . . . 0.0 110.66 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.88 -45.44 14.22 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -68.27 -44.99 74.32 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 125.186 1.394 . . . . 0.0 110.416 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 m -80.02 -68.7 0.65 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.847 0.859 . . . . 0.0 109.04 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -101.76 70.38 1.25 Allowed 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 125.241 1.416 . . . . 0.0 108.968 -168.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.485 HH22 ' HE ' ' A' ' 58' ' ' ARG . 0.8 OUTLIER -64.41 -63.69 1.07 Allowed 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 126.157 1.783 . . . . 0.0 110.975 -174.176 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -92.06 76.94 5.39 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.33 149.02 7.86 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 127.275 2.23 . . . . 0.0 111.287 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.38 173.93 7.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.62 -19.88 60.74 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.645 0.778 . . . . 0.0 110.305 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -91.3 -43.0 10.06 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.988 0.915 . . . . 0.0 109.587 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.5 mtp85 -63.88 -46.1 86.44 Favored 'General case' 0 CA--C 1.493 -1.248 0 C-N-CA 124.759 1.223 . . . . 0.0 110.751 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttp-105 -63.36 -38.67 92.06 Favored 'General case' 0 CA--C 1.507 -0.701 0 C-N-CA 124.611 1.164 . . . . 0.0 111.064 -176.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.22 -28.06 69.78 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 126.464 1.905 . . . . 0.0 112.889 174.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -81.28 -33.28 32.76 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.102 0.561 . . . . 0.0 109.908 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.73 -27.12 63.73 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.63 63.14 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 126.218 1.807 . . . . 0.0 111.554 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -76.01 -30.41 58.49 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 121.45 -0.781 . . . . 0.0 110.045 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -79.65 -68.84 0.63 Allowed 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 122.932 0.493 . . . . 0.0 112.065 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.33 -27.27 68.91 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 125.913 1.685 . . . . 0.0 109.956 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.48 36.36 5.92 Favored Glycine 0 CA--C 1.489 -1.566 0 N-CA-C 107.117 -2.393 . . . . 0.0 107.117 173.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.76 -167.7 1.6 Allowed 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -112.34 179.64 3.93 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.412 -2.44 . . . . 0.0 104.412 170.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.59 -37.25 68.2 Favored 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.1 m -67.8 -32.98 73.91 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.942 2.097 . . . . 0.0 112.123 -173.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -67.95 -44.72 76.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.742 1.217 . . . . 0.0 110.722 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.0 mt -81.33 -23.8 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 124.691 1.197 . . . . 0.0 109.511 -174.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -51.18 67.19 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.516 1.126 . . . . 0.0 108.945 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -43.78 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 C-N-CA 127.794 2.437 . . . . 0.0 110.784 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -61.23 -37.96 84.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.724 1.609 . . . . 0.0 112.307 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -74.86 -27.58 60.32 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.367 0.667 . . . . 0.0 110.608 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -79.69 -25.04 41.33 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.178 0.991 . . . . 0.0 111.347 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.32 -36.58 63.71 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.282 1.433 . . . . 0.0 109.695 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -81.58 15.36 2.14 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.308 1.443 . . . . 0.0 112.419 178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HE ' HH22 ' A' ' 29' ' ' ARG . 95.2 mtt180 -100.7 -47.82 4.71 Favored 'General case' 0 CA--C 1.498 -1.047 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 165.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.19 34.15 0.95 Allowed 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.133 1.773 . . . . 0.0 112.063 -169.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -56.95 -47.03 81.67 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 125.859 1.664 . . . . 0.0 112.854 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mt -83.19 133.74 28.44 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 174.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -83.88 -34.72 24.51 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 124.266 1.026 . . . . 0.0 109.555 -173.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.71 -165.03 1.21 Allowed 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 125.729 1.612 . . . . 0.0 107.222 178.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.2 -80.68 0.16 Allowed 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -99.97 142.42 31.48 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -87.52 174.1 8.69 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 123.678 0.791 . . . . 0.0 109.04 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.604 0 CA-C-O 117.956 -1.021 . . . . 0.0 108.422 178.518 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.24 -14.68 18.45 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.442 2.761 . . . . 0.0 110.254 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.01 173.86 6.13 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.83 110.4 18.8 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -110.69 -4.88 15.16 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.277 1.031 . . . . 0.0 108.308 174.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -166.01 -161.67 0.5 Allowed 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 102.617 -3.105 . . . . 0.0 102.617 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -92.63 136.72 32.99 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -112.42 154.35 44.57 Favored Pre-proline 0 N--CA 1.441 -0.905 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.59 158.74 47.1 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.908 2.405 . . . . 0.0 108.93 169.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -91.23 164.19 13.98 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.677 0.751 . . . . 0.0 109.112 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.8 m -95.32 67.65 2.97 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -171.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.51 109.87 20.02 Favored 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -106.29 172.63 6.7 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.4 p -104.21 -178.43 3.66 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 175.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.15 67.76 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 124.13 0.972 . . . . 0.0 111.607 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.13 -29.57 48.89 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.955 1.302 . . . . 0.0 110.757 -176.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -78.6 -44.4 24.12 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 123.907 0.883 . . . . 0.0 109.673 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.77 -45.95 85.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.598 1.559 . . . . 0.0 111.776 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -51.57 -51.18 57.57 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.63 1.972 . . . . 0.0 113.118 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -45.87 92.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 126.67 1.988 . . . . 0.0 111.407 -178.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.1 mt -75.43 -28.25 59.28 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -82.05 -22.28 36.48 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 123.991 0.916 . . . . 0.0 109.741 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.28 -36.92 63.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.072 0.949 . . . . 0.0 110.056 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -91.49 -9.17 45.45 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.884 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -90.68 22.83 3.33 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-O 122.761 1.267 . . . . 0.0 109.718 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -89.64 -56.94 3.05 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -90.82 -63.74 1.23 Allowed 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -87.12 114.92 24.15 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.847 1.259 . . . . 0.0 110.643 -165.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -95.71 -50.68 4.83 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 170.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.61 91.83 7.02 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.618 1.167 . . . . 0.0 108.991 -167.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.0 mt -85.04 156.62 21.02 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 114.809 -1.087 . . . . 0.0 108.107 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -106.79 -176.11 2.99 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.95 -17.56 61.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.798 0.839 . . . . 0.0 110.366 173.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -93.25 -48.51 6.41 Favored 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 124.503 1.121 . . . . 0.0 110.128 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mmm-85 -62.68 -44.32 96.56 Favored 'General case' 0 CA--C 1.492 -1.266 0 C-N-CA 125.481 1.512 . . . . 0.0 111.23 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -65.72 -39.7 91.46 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 124.111 0.964 . . . . 0.0 110.729 -175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -66.41 -23.18 66.26 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 126.325 1.85 . . . . 0.0 112.974 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -78.77 -40.26 33.69 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 123.119 0.568 . . . . 0.0 109.78 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -32.91 73.81 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 123.882 0.873 . . . . 0.0 108.881 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.35 62.48 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.748 2.019 . . . . 0.0 111.718 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -72.78 -33.85 66.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 O-C-N 121.636 -0.665 . . . . 0.0 109.494 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -75.28 -58.39 3.31 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.06 -31.0 64.12 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 125.333 1.453 . . . . 0.0 109.432 -173.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.24 34.34 5.91 Favored Glycine 0 CA--C 1.49 -1.48 0 N-CA-C 106.787 -2.525 . . . . 0.0 106.787 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -90.93 -176.76 4.75 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -108.82 179.79 4.08 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.04 -36.96 67.02 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 124.41 1.084 . . . . 0.0 109.178 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -72.6 -24.48 61.09 Favored 'General case' 0 CA--C 1.507 -0.686 0 C-N-CA 126.747 2.019 . . . . 0.0 111.956 -173.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -73.94 -47.48 37.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.3 mt -80.48 -18.23 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 C-N-CA 124.76 1.224 . . . . 0.0 109.537 -174.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -61.32 -54.56 42.34 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 125.589 1.556 . . . . 0.0 109.829 174.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.46 -45.27 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.24 0 C-N-CA 127.531 2.333 . . . . 0.0 110.249 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -58.83 -39.85 82.46 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.366 1.466 . . . . 0.0 112.808 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -67.49 -38.88 85.01 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 118.889 0.768 . . . . 0.0 110.612 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -73.36 -22.39 60.29 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.375 1.07 . . . . 0.0 112.156 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -76.11 -41.62 49.64 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.561 1.545 . . . . 0.0 110.217 175.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -74.94 -22.8 58.37 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 125.002 1.321 . . . . 0.0 111.593 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 mtp-105 -87.74 -15.84 35.91 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 125.062 1.345 . . . . 0.0 109.931 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.46 -20.23 60.75 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.381 1.072 . . . . 0.0 111.104 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -70.68 -36.58 73.39 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.343 1.457 . . . . 0.0 108.976 172.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -92.6 -164.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 126.054 1.741 . . . . 0.0 107.072 177.227 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' H ' HG22 ' A' ' 61' ' ' ILE . 64.1 tttm -94.99 87.16 4.84 Favored 'General case' 0 N--CA 1.435 -1.198 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -68.98 156.8 37.96 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 123.614 0.765 . . . . 0.0 111.341 172.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.81 -67.55 0.84 Allowed 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.5 t -82.06 144.11 31.05 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -82.92 166.59 18.77 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 124.233 1.013 . . . . 0.0 110.219 -173.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.593 0 CA-C-O 117.944 -1.027 . . . . 0.0 108.653 -179.621 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.41 -7.41 15.93 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.265 2.643 . . . . 0.0 110.591 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.8 mmt -113.24 23.78 12.95 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -145.09 178.05 8.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -124.36 -175.05 3.16 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -90.09 127.42 36.08 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -100.31 160.82 14.03 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -97.36 119.68 62.49 Favored Pre-proline 0 N--CA 1.441 -0.914 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -74.36 106.37 2.22 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.347 2.698 . . . . 0.0 109.35 169.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -97.85 -110.67 0.16 Allowed 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 m -117.84 58.56 0.8 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.96 109.85 22.19 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -144.07 170.85 15.15 Favored 'General case' 0 CA--C 1.5 -0.979 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.0 p -110.43 -178.44 3.5 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 169.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.88 69.02 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 124.066 0.946 . . . . 0.0 111.326 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -75.97 -25.2 55.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 125.451 1.5 . . . . 0.0 111.699 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -86.34 -42.48 13.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 123.422 0.689 . . . . 0.0 109.475 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -58.26 -49.88 75.57 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.29 1.436 . . . . 0.0 112.49 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -64.7 -33.47 76.03 Favored 'General case' 0 CA--C 1.502 -0.892 0 C-N-CA 124.92 1.288 . . . . 0.0 113.346 -171.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -75.69 -33.26 60.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 124.151 0.98 . . . . 0.0 110.688 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.5 mt -73.59 -20.44 60.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 123.766 0.826 . . . . 0.0 111.891 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.9 -29.53 66.75 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.823 0.738 . . . . 0.0 110.181 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.28 -30.9 33.89 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.258 1.023 . . . . 0.0 109.957 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.11 -5.7 56.24 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.112 0.965 . . . . 0.0 110.425 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -86.36 -39.59 16.28 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.58 -40.73 95.81 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.932 1.693 . . . . 0.0 110.911 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.8 m -74.91 -69.06 0.49 Allowed 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 124.348 1.059 . . . . 0.0 108.192 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -106.45 106.09 16.45 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.065 1.346 . . . . 0.0 107.925 -174.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -93.76 -45.47 7.66 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.9 m-85 -83.91 78.6 9.7 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tp -85.45 146.36 26.99 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 125.638 1.575 . . . . 0.0 108.402 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.3 p -98.5 172.66 7.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -73.48 -22.05 60.26 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.418 0.687 . . . . 0.0 110.462 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -93.04 -24.24 18.39 Favored 'General case' 0 C--N 1.359 0.978 0 C-N-CA 124.783 1.233 . . . . 0.0 111.542 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -38.7 21.4 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -59.87 -36.42 76.87 Favored 'General case' 0 CA--C 1.503 -0.855 0 C-N-CA 126.178 1.791 . . . . 0.0 111.658 171.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -66.05 -27.57 68.19 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 125.648 1.579 . . . . 0.0 111.131 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.3 m -83.11 -29.71 28.5 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.9 -26.62 59.77 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.49 60.32 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.595 1.558 . . . . 0.0 111.142 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -84.29 -21.45 31.04 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 121.597 -0.69 . . . . 0.0 109.787 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -77.73 -68.39 0.63 Allowed 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.002 0.921 . . . . 0.0 112.78 -167.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -76.75 -27.05 55.21 Favored 'General case' 0 CA--C 1.494 -1.175 0 C-N-CA 125.659 1.584 . . . . 0.0 108.041 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.13 43.24 2.62 Favored Glycine 0 CA--C 1.488 -1.599 0 N-CA-C 107.357 -2.297 . . . . 0.0 107.357 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -97.96 -167.58 1.54 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -105.56 173.1 6.45 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 168.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.76 -33.41 62.3 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.406 0.682 . . . . 0.0 109.545 173.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -72.52 -23.65 61.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.541 1.936 . . . . 0.0 112.279 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -67.64 -47.87 68.32 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.534 1.134 . . . . 0.0 109.447 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mt -84.12 -16.52 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 126.223 1.809 . . . . 0.0 109.261 -168.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -66.06 -51.25 59.88 Favored 'General case' 0 CA--C 1.496 -1.115 0 C-N-CA 125.034 1.333 . . . . 0.0 109.718 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.91 -45.53 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 C-N-CA 127.818 2.447 . . . . 0.0 109.922 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -60.63 -40.55 92.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.411 1.485 . . . . 0.0 112.717 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.57 -36.31 65.57 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 123.359 0.664 . . . . 0.0 110.516 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -72.92 -21.4 60.9 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 118.818 0.735 . . . . 0.0 111.774 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -72.14 -44.72 62.68 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.685 1.194 . . . . 0.0 109.849 172.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -76.96 -17.69 58.72 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 124.536 1.134 . . . . 0.0 112.957 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -92.75 -7.93 45.2 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 124.806 1.243 . . . . 0.0 109.865 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.58 4.13 50.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.422 1.089 . . . . 0.0 110.889 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -93.16 29.9 1.78 Allowed 'General case' 0 C--N 1.358 0.952 0 C-N-CA 124.214 1.005 . . . . 0.0 110.916 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 62' ' ' LYS . 4.6 mt -104.66 -141.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.921 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 176.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' H ' HG22 ' A' ' 61' ' ' ILE . 24.3 pttm -92.69 -31.92 14.92 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 174.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -91.11 159.8 15.91 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.15 -70.79 0.79 Allowed 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -84.6 129.33 34.86 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -173.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -96.42 -71.92 0.66 Allowed 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.672 0 C-N-CA 125.497 1.519 . . . . 0.0 110.926 -179.16 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 CA-C-O 118.22 -1.322 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.55 -9.1 17.3 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.256 2.637 . . . . 0.0 111.196 -178.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.7 mtt -104.08 -161.46 0.83 Allowed 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.96 -69.2 0.65 Allowed 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p -102.99 116.61 32.87 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 167.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -111.24 147.18 35.58 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.08 153.17 51.76 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -96.15 148.93 35.26 Favored Pre-proline 0 N--CA 1.441 -0.88 0 N-CA-C 104.621 -2.363 . . . . 0.0 104.621 166.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.4 89.24 1.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.106 2.537 . . . . 0.0 110.061 176.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -111.87 -70.19 0.82 Allowed 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 103.428 -2.805 . . . . 0.0 103.428 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -96.09 -25.52 15.85 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 165.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.87 175.34 10.49 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-O 122.208 1.004 . . . . 0.0 110.586 -166.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -96.42 169.97 9.55 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.61 -168.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -105.23 -175.79 2.89 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.9 68.26 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 124.282 1.033 . . . . 0.0 111.3 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -79.39 -26.73 41.9 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.073 1.349 . . . . 0.0 111.127 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -79.7 -42.57 24.39 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 123.614 0.766 . . . . 0.0 109.617 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -59.46 -41.87 90.69 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.254 1.422 . . . . 0.0 111.792 174.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.17 -51.01 65.7 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 126.461 1.904 . . . . 0.0 112.502 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.83 -49.27 77.22 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 126.8 2.04 . . . . 0.0 111.619 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.17 -20.68 47.84 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -78.79 -20.12 50.55 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.77 0.714 . . . . 0.0 109.918 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -32.76 39.22 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.681 0.792 . . . . 0.0 109.038 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -75.32 -36.96 61.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.631 1.172 . . . . 0.0 110.361 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -67.2 -40.21 86.43 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 126.481 1.912 . . . . 0.0 109.864 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.49 -46.0 88.12 Favored 'General case' 0 CA--C 1.503 -0.829 0 C-N-CA 125.806 1.642 . . . . 0.0 111.292 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -76.1 -70.26 0.45 Allowed 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -109.66 100.13 9.2 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.585 1.554 . . . . 0.0 107.862 -175.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -76.51 -38.28 55.44 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 173.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -82.9 73.96 9.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 126.682 1.993 . . . . 0.0 106.789 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.64 133.65 34.4 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 129.291 3.036 . . . . 0.0 104.23 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 p -89.36 150.95 22.33 Favored 'General case' 0 CA--C 1.485 -1.52 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -73.4 -7.33 51.24 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.15 0.58 . . . . 0.0 111.746 -176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -93.69 -39.81 10.58 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 124.735 1.214 . . . . 0.0 109.888 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -87.73 -18.4 29.54 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 125.567 1.547 . . . . 0.0 108.572 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -57.27 -30.72 64.92 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 124.731 1.212 . . . . 0.0 112.251 161.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -76.47 -15.4 59.92 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 123.296 0.638 . . . . 0.0 110.713 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -81.4 -34.29 31.71 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.102 0.961 . . . . 0.0 108.646 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.12 -25.46 61.74 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 125.774 1.629 . . . . 0.0 110.91 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.8 -26.96 49.98 Favored 'General case' 0 C--N 1.361 1.095 0 O-C-N 121.791 -0.568 . . . . 0.0 110.409 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -77.16 -63.89 1.26 Allowed 'General case' 0 CA--C 1.492 -1.25 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -172.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.44 -29.08 59.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 125.581 1.552 . . . . 0.0 108.914 -172.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.17 34.16 5.99 Favored Glycine 0 CA--C 1.488 -1.61 0 N-CA-C 106.466 -2.653 . . . . 0.0 106.466 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 mt -89.94 -173.77 4.0 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -111.24 -173.51 2.26 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 174.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.93 -45.03 52.97 Favored 'General case' 0 CA--C 1.494 -1.192 0 C-N-CA 123.958 0.903 . . . . 0.0 108.705 172.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -69.51 -30.38 68.22 Favored 'General case' 0 CA--C 1.501 -0.931 0 C-N-CA 126.747 2.019 . . . . 0.0 112.225 -165.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -68.32 -42.48 79.3 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.821 1.248 . . . . 0.0 110.436 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.6 mt -80.86 -28.82 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 C-N-CA 125.059 1.344 . . . . 0.0 109.775 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -62.65 -44.72 95.56 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 124.715 1.206 . . . . 0.0 111.309 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.21 -47.0 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 C-N-CA 126.423 1.889 . . . . 0.0 109.488 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -60.16 -36.15 76.9 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 125.724 1.609 . . . . 0.0 112.813 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.86 -43.39 75.49 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 119.494 1.043 . . . . 0.0 110.283 -177.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.05 -24.11 60.66 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 123.922 0.889 . . . . 0.0 111.98 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -71.12 -43.15 68.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.868 1.267 . . . . 0.0 110.071 173.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.37 -2.63 50.02 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.887 1.275 . . . . 0.0 112.826 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -83.44 -18.33 39.02 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 124.119 0.968 . . . . 0.0 109.462 172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.94 -35.21 24.18 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -86.34 32.72 0.63 Allowed 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.16 1.384 . . . . 0.0 112.574 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.0 mt -87.88 -80.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.903 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -88.43 -44.23 10.89 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 124.663 1.185 . . . . 0.0 108.481 -174.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.02 -170.13 1.59 Allowed 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -171.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.39 -82.31 0.36 Allowed 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -115.74 -41.84 3.18 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.209 -2.145 . . . . 0.0 105.209 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -138.66 166.21 24.95 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 105.734 -1.951 . . . . 0.0 105.734 174.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.675 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.529 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.15 -9.1 16.57 Favored 'Trans proline' 0 CA--C 1.51 -0.675 0 C-N-CA 123.613 2.876 . . . . 0.0 110.341 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 20.1 ptp -110.41 -167.85 1.24 Allowed 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.04 -29.05 43.33 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 124.366 1.066 . . . . 0.0 111.056 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 t -76.77 133.26 39.48 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 123.996 0.918 . . . . 0.0 108.814 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -100.78 147.82 25.62 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -112.03 129.55 56.17 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 104.878 -2.267 . . . . 0.0 104.878 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -158.53 136.45 7.38 Favored Pre-proline 0 N--CA 1.436 -1.161 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.53 116.06 4.54 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.162 2.574 . . . . 0.0 108.843 165.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -86.73 176.29 7.82 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-O 121.476 0.655 . . . . 0.0 109.604 -170.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.4 t -78.29 -34.84 48.58 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.04 -138.05 0.32 Allowed 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -132.86 166.98 21.04 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -111.72 -174.07 2.38 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 171.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.74 68.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 123.775 0.83 . . . . 0.0 110.71 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -77.18 -27.43 53.63 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.526 1.53 . . . . 0.0 111.605 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -82.9 -42.83 17.25 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.64 -50.13 72.96 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.403 1.481 . . . . 0.0 111.119 175.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -46.24 -55.3 7.37 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 128.027 2.531 . . . . 0.0 113.554 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -48.95 70.21 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 127.714 2.406 . . . . 0.0 112.011 179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.2 mt -76.34 -20.94 56.74 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 124.033 0.933 . . . . 0.0 113.311 -174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -84.3 -22.18 30.76 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 124.836 1.254 . . . . 0.0 109.658 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.68 63.48 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -78.86 -24.65 44.2 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 123.611 0.764 . . . . 0.0 111.721 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.67 -35.95 79.81 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.96 1.255 . . . . 0.0 109.718 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -71.91 -50.76 26.38 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.615 1.166 . . . . 0.0 111.094 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -81.37 -67.21 0.8 Allowed 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 123.098 0.559 . . . . 0.0 109.657 -171.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -113.83 79.7 1.28 Allowed 'General case' 0 N--CA 1.432 -1.341 0 C-N-CA 125.729 1.611 . . . . 0.0 107.982 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -50.02 71.19 Favored 'General case' 0 CA--C 1.502 -0.882 0 C-N-CA 125.148 1.379 . . . . 0.0 109.562 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -79.58 92.89 5.37 Favored 'General case' 0 N--CA 1.428 -1.528 0 C-N-CA 125.76 1.624 . . . . 0.0 108.504 -169.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 mt -78.7 154.35 30.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.448 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.7 p -104.5 174.61 5.8 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 169.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.76 -23.0 59.67 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 118.186 0.448 . . . . 0.0 109.806 173.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' HA ' HE21 ' A' ' 37' ' ' GLN . 6.7 tm0? -77.92 -45.45 24.0 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.34 1.456 . . . . 0.0 109.524 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.72 -47.37 81.38 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 124.84 1.256 . . . . 0.0 109.693 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.09 -34.11 75.69 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 125.339 1.456 . . . . 0.0 113.615 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.427 HE21 ' HA ' ' A' ' 34' ' ' GLN . 18.4 pt20 -87.54 -4.87 58.97 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 122.332 -0.23 . . . . 0.0 110.72 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -85.57 -29.76 23.88 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -74.71 -24.48 58.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.284 1.033 . . . . 0.0 108.477 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.15 61.22 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.472 1.109 . . . . 0.0 110.93 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -76.26 -38.26 56.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.79 -69.2 0.38 Allowed 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.68 -29.0 62.05 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 125.362 1.465 . . . . 0.0 108.625 -173.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.95 33.01 4.18 Favored Glycine 0 CA--C 1.489 -1.572 0 N-CA-C 107.066 -2.414 . . . . 0.0 107.066 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.97 -162.14 0.91 Allowed 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -120.32 -169.86 1.88 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -74.22 -44.45 53.13 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 169.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -59.49 -36.95 77.02 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 127.776 2.431 . . . . 0.0 113.746 -169.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -66.67 -39.03 87.99 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.184 1.394 . . . . 0.0 111.097 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mt -88.19 -19.72 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 C-N-CA 125.345 1.458 . . . . 0.0 109.86 -171.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.79 -45.63 81.69 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 120.972 -1.08 . . . . 0.0 109.209 173.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.85 -46.55 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 C-N-CA 127.071 2.148 . . . . 0.0 109.734 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -62.27 -41.5 98.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.387 1.475 . . . . 0.0 112.899 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.3 -25.96 59.9 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 118.632 0.651 . . . . 0.0 110.905 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -78.76 -28.52 44.83 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 111.299 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -72.0 -39.96 68.86 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.445 1.498 . . . . 0.0 110.591 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -74.3 -3.89 32.87 Favored 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 125.889 1.676 . . . . 0.0 114.016 -175.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -77.22 -37.04 54.15 Favored 'General case' 0 CA--C 1.5 -0.966 0 C-N-CA 124.638 1.175 . . . . 0.0 109.285 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.08 -94.83 0.07 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -109.68 -99.46 0.39 Allowed 'General case' 0 C--N 1.357 0.908 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 62' ' ' LYS . 4.2 mt -128.87 -144.61 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 N-CA-C 100.836 -3.765 . . . . 0.0 100.836 173.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.439 ' H ' HG22 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -84.1 -2.37 56.63 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.874 1.27 . . . . 0.0 110.089 174.349 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.59 149.7 38.21 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.769 1.228 . . . . 0.0 109.833 177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.29 71.97 0.53 Allowed 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 103.905 -2.628 . . . . 0.0 103.905 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.2 p -85.29 152.29 23.4 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 124.038 0.935 . . . . 0.0 109.615 -173.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -113.27 173.1 6.56 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.604 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.648 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.93 -10.05 18.11 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 123.485 2.79 . . . . 0.0 110.383 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -112.16 -173.82 2.33 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.31 -94.69 0.11 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 105.642 -1.985 . . . . 0.0 105.642 171.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -108.99 -166.45 1.11 Allowed 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 171.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -81.72 140.21 34.42 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -96.02 163.64 13.04 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -112.23 106.04 56.12 Favored Pre-proline 0 N--CA 1.441 -0.912 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.74 97.01 1.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.213 2.608 . . . . 0.0 109.337 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -99.02 161.71 13.47 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 -177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 t -92.8 -21.68 19.77 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.908 1.283 . . . . 0.0 108.117 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.02 172.53 11.5 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 124.956 1.302 . . . . 0.0 111.892 -165.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -82.19 157.31 24.02 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 124.198 0.999 . . . . 0.0 109.277 -171.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.8 p -115.72 -175.39 2.71 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 171.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.3 -27.92 63.75 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 123.935 0.894 . . . . 0.0 110.583 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.06 -25.42 59.82 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.881 1.672 . . . . 0.0 111.694 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -84.21 -49.7 8.57 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.96 -42.74 80.67 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.25 -32.8 74.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.496 1.118 . . . . 0.0 113.197 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -68.1 -43.96 77.3 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.305 1.442 . . . . 0.0 109.937 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 mt -71.91 -24.26 61.61 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 125.277 1.431 . . . . 0.0 112.016 -174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -81.31 -22.29 38.65 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.412 1.485 . . . . 0.0 110.234 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.33 33.13 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.526 0.73 . . . . 0.0 109.273 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -72.04 -34.4 68.76 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.503 1.121 . . . . 0.0 110.355 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -48.97 -31.72 7.91 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.133 2.573 . . . . 0.0 113.887 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -65.79 -59.73 3.6 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 124.285 1.034 . . . . 0.0 111.846 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.1 m -84.38 -65.98 0.95 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -105.22 97.12 7.01 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 126.077 1.751 . . . . 0.0 107.758 -170.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -92.25 -71.51 0.64 Allowed 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -91.82 84.76 5.44 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 173.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -58.86 178.42 0.12 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 127.296 2.238 . . . . 0.0 110.954 169.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.5 p -82.92 175.41 10.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 C-N-CA 125.199 1.4 . . . . 0.0 107.86 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -73.74 -17.89 61.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 123.592 0.757 . . . . 0.0 110.524 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -94.57 -36.0 12.0 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 111.103 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -84.11 -33.7 24.28 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 124.103 0.961 . . . . 0.0 109.813 -174.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB2' HD23 ' A' ' 31' ' ' LEU . 54.9 ttp180 -63.85 -38.79 92.39 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 124.49 1.116 . . . . 0.0 109.159 174.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -66.64 -25.6 66.66 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 126.261 1.824 . . . . 0.0 111.773 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 t -80.66 -28.72 36.77 Favored 'General case' 0 CA--C 1.504 -0.79 0 O-C-N 122.145 -0.347 . . . . 0.0 110.574 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -73.55 -29.55 62.51 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.99 -24.84 59.66 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 125.746 1.618 . . . . 0.0 111.8 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -79.68 -31.89 41.39 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 121.677 -0.639 . . . . 0.0 109.844 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -92.54 -58.26 2.42 Favored 'General case' 0 CA--C 1.484 -1.562 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -165.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD12 HD12 ' A' ' 45' ' ' LEU . 72.8 mt -68.5 -31.83 71.38 Favored 'General case' 0 CA--C 1.498 -1.031 0 C-N-CA 124.268 1.027 . . . . 0.0 108.525 177.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 40.98 4.07 Favored Glycine 0 CA--C 1.491 -1.437 0 N-CA-C 107.5 -2.24 . . . . 0.0 107.5 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.41 HD12 HD12 ' A' ' 43' ' ' LEU . 21.2 mt -93.46 -170.7 2.43 Favored 'General case' 0 CA--C 1.507 -0.673 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -118.68 169.61 9.67 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 103.967 -2.605 . . . . 0.0 103.967 168.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.12 -30.93 65.55 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 123.869 0.868 . . . . 0.0 110.231 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 t -65.84 -39.24 90.62 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.8 2.04 . . . . 0.0 111.483 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -72.5 -32.32 66.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.133 0.973 . . . . 0.0 111.713 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.6 mt -83.79 -28.66 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.325 1.05 . . . . 0.0 109.166 -174.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.01 -47.95 83.73 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 125.606 1.562 . . . . 0.0 109.744 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.76 -46.14 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 C-N-CA 128.107 2.563 . . . . 0.0 110.751 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -58.08 -46.19 85.89 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.442 1.897 . . . . 0.0 113.06 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -76.65 -25.45 53.76 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.748 0.819 . . . . 0.0 110.739 -176.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -83.59 -19.07 36.19 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 124.726 1.21 . . . . 0.0 111.699 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -77.18 -40.77 44.09 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 124.895 1.278 . . . . 0.0 108.322 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.92 -35.58 81.0 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.413 1.085 . . . . 0.0 112.026 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -75.38 -19.55 59.48 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.986 0.914 . . . . 0.0 111.908 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.5 -30.37 52.98 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.929 0.892 . . . . 0.0 110.435 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -70.97 -35.47 72.15 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.656 1.182 . . . . 0.0 110.282 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.8 mt -74.49 135.3 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -96.63 83.92 3.56 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -78.7 -168.15 1.32 Allowed 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 125.028 1.331 . . . . 0.0 109.859 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.6 -77.21 0.13 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.956 0.902 . . . . 0.0 109.376 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.1 m -108.48 116.23 31.59 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -109.93 -63.64 1.35 Allowed 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.607 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 177.578 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 CA-C-O 118.332 -1.26 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.7 -6.77 15.46 Favored 'Trans proline' 0 CA--C 1.51 -0.689 0 C-N-CA 123.226 2.617 . . . . 0.0 110.895 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.9 mtt -97.32 163.99 12.66 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.17 144.36 25.7 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -112.55 163.06 14.95 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -92.93 166.51 12.35 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -116.03 25.22 10.86 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -94.31 155.21 40.07 Favored Pre-proline 0 N--CA 1.439 -0.993 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -78.84 86.41 1.69 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.271 2.647 . . . . 0.0 109.898 174.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -102.1 -142.0 0.35 Allowed 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -93.04 17.16 11.24 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 170.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.48 114.88 18.76 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 124.946 1.298 . . . . 0.0 107.8 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -100.35 174.59 6.05 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 -174.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.2 p -100.18 179.78 4.37 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.8 70.18 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 123.999 0.919 . . . . 0.0 111.274 -176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -76.89 -24.33 52.55 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.202 1.401 . . . . 0.0 111.409 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -80.42 -51.15 9.16 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 124.064 0.946 . . . . 0.0 109.571 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.9 mt -54.37 -50.69 66.91 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 126.637 1.975 . . . . 0.0 113.014 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.52 -28.89 68.91 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.592 1.157 . . . . 0.0 113.182 -172.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -71.86 -35.94 69.97 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.359 1.464 . . . . 0.0 110.334 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.0 mt -75.78 -28.19 58.31 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 123.925 0.89 . . . . 0.0 111.441 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -72.88 -29.16 62.95 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 123.728 0.811 . . . . 0.0 110.106 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.35 58.26 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.78 1.232 . . . . 0.0 110.13 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.79 -40.89 63.09 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.06 1.344 . . . . 0.0 109.782 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.8 -26.6 64.26 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.003 2.521 . . . . 0.0 112.493 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -58.47 -51.42 69.91 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.976 1.31 . . . . 0.0 112.246 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 m -86.37 -67.93 0.78 Allowed 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -115.36 115.68 27.0 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 125.351 1.461 . . . . 0.0 108.521 -167.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -86.3 -46.01 10.71 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 169.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -73.56 97.9 2.71 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 126.105 1.762 . . . . 0.0 109.72 -162.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.509 HD23 HH21 ' A' ' 35' ' ' ARG . 69.6 mt -75.87 149.3 37.83 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.081 177.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -101.59 -177.4 3.42 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -72.43 -22.33 61.11 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 123.605 0.762 . . . . 0.0 109.29 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -91.01 -48.37 7.03 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.033 0.933 . . . . 0.0 110.613 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.509 HH21 HD23 ' A' ' 31' ' ' LEU . 39.3 mtp85 -61.45 -46.08 91.57 Favored 'General case' 0 CA--C 1.494 -1.206 0 C-N-CA 125.402 1.481 . . . . 0.0 111.173 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -64.92 -39.83 94.12 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.214 1.406 . . . . 0.0 110.992 -174.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -66.5 -26.7 67.3 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 125.842 1.657 . . . . 0.0 111.959 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 m -83.02 -25.85 31.79 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 122.689 0.396 . . . . 0.0 110.089 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.86 -22.07 58.89 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 123.682 0.793 . . . . 0.0 109.025 176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.13 65.34 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.469 1.108 . . . . 0.0 111.365 176.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -86.0 -20.39 28.96 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 121.483 -0.761 . . . . 0.0 109.506 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -76.09 -68.6 0.57 Allowed 'General case' 0 CA--C 1.493 -1.242 0 C-N-CA 124.009 0.924 . . . . 0.0 112.262 -167.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.1 mt -79.12 -27.87 42.9 Favored 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 125.454 1.501 . . . . 0.0 107.55 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.07 37.89 3.49 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 106.941 -2.464 . . . . 0.0 106.941 174.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -104.44 -156.75 0.58 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -117.41 -172.08 2.16 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 171.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.22 -43.64 56.32 Favored 'General case' 0 CA--C 1.496 -1.131 0 C-N-CA 124.383 1.073 . . . . 0.0 109.626 173.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -67.64 -33.81 75.7 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.092 2.157 . . . . 0.0 112.724 -166.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -72.19 -34.78 68.66 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.135 0.974 . . . . 0.0 111.343 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.05 -20.16 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 C-N-CA 125.005 1.322 . . . . 0.0 108.694 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -66.96 -43.64 82.59 Favored 'General case' 0 CA--C 1.501 -0.905 0 C-N-CA 124.855 1.262 . . . . 0.0 109.499 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.17 -45.1 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 C-N-CA 128.291 2.636 . . . . 0.0 110.282 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -60.06 -40.09 88.26 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 125.9 1.68 . . . . 0.0 112.252 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -77.45 -25.25 50.44 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.357 0.663 . . . . 0.0 111.169 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.82 -18.08 38.86 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.273 1.029 . . . . 0.0 111.059 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -78.2 -37.3 45.91 Favored 'General case' 0 CA--C 1.503 -0.828 0 C-N-CA 124.847 1.259 . . . . 0.0 108.858 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -75.69 -11.48 60.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.627 1.571 . . . . 0.0 111.642 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -85.99 -38.27 18.09 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 168.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.45 33.8 0.9 Allowed 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 124.991 1.316 . . . . 0.0 111.982 -172.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -70.26 -54.2 13.71 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 170.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.1 tt -84.25 157.79 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.514 0 C-N-CA 125.57 1.548 . . . . 0.0 109.197 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -119.1 -65.77 1.14 Allowed 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -95.78 -138.0 0.24 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.4 -42.09 13.1 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.3 m -101.94 145.76 28.8 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 172.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -82.5 -90.08 0.08 Allowed 'General case' 0 C--N 1.357 0.913 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.657 0 C-N-CA 125.269 1.428 . . . . 0.0 110.926 -179.427 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.62 -10.58 18.65 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.366 2.711 . . . . 0.0 110.166 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.3 ptp -141.04 -145.05 0.17 Allowed 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 103.541 -2.763 . . . . 0.0 103.541 173.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.89 -50.43 56.31 Favored 'General case' 0 CA--C 1.502 -0.874 0 C-N-CA 124.545 1.138 . . . . 0.0 110.375 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -91.5 157.26 17.13 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.276 1.03 . . . . 0.0 108.728 178.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.35 151.92 25.35 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 175.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.04 114.61 21.74 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -155.96 157.4 31.31 Favored Pre-proline 0 N--CA 1.438 -1.043 0 N-CA-C 105.123 -2.177 . . . . 0.0 105.123 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -73.73 108.7 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.161 2.574 . . . . 0.0 109.686 172.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -95.48 177.91 5.66 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -79.58 -35.26 39.93 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.074 1.35 . . . . 0.0 108.693 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.55 -135.25 0.28 Allowed 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -82.85 161.36 21.95 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 176.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -101.29 -179.0 3.9 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 175.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.02 70.2 Favored 'General case' 0 CA--C 1.505 -0.788 0 C-N-CA 123.296 0.638 . . . . 0.0 111.166 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -79.05 -25.25 43.17 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 125.201 1.401 . . . . 0.0 111.724 -176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.17 -44.12 18.34 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.8 mt -55.17 -53.93 49.71 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.686 1.595 . . . . 0.0 112.65 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -66.72 -29.51 69.52 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.191 1.397 . . . . 0.0 113.321 -171.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -66.04 -41.28 91.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.177 1.791 . . . . 0.0 110.102 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.08 -21.09 54.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 123.992 0.917 . . . . 0.0 112.429 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.09 -32.71 69.4 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.95 -25.09 37.66 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.778 1.231 . . . . 0.0 110.631 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -79.36 -43.94 22.5 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -92.53 31.24 1.37 Allowed 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.605 1.162 . . . . 0.0 110.903 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -92.66 -62.07 1.47 Allowed 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.254 1.821 . . . . 0.0 106.561 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -86.39 -59.67 2.21 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -83.2 110.26 17.91 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 125.025 1.33 . . . . 0.0 109.912 -171.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -97.01 -23.09 16.44 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 168.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -85.08 65.48 9.26 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 126.75 2.02 . . . . 0.0 107.831 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HG ' ' HE ' ' A' ' 35' ' ' ARG . 5.0 tt -100.12 129.43 46.15 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.4 p -94.43 155.94 16.72 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -170.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.82 -11.19 60.3 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.779 1.232 . . . . 0.0 111.094 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.47 -48.15 10.62 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.549 ' HE ' ' HG ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -82.79 -22.25 34.3 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.926 -0.484 . . . . 0.0 110.86 -176.217 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.561 HH11 ' HA ' ' A' ' 51' ' ' LYS . 6.6 ttm180 -53.31 -23.25 8.74 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.13 1.372 . . . . 0.0 113.902 167.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -88.29 -9.51 52.61 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 121.852 -0.53 . . . . 0.0 109.913 -174.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 t -97.4 -22.94 16.32 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.85 -28.06 63.3 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 170.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.69 -28.49 62.72 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.57 1.148 . . . . 0.0 111.628 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.82 -32.87 62.08 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 121.335 -0.853 . . . . 0.0 110.654 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -85.56 -50.03 7.56 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -164.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -72.91 -29.1 62.87 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 35.57 6.56 Favored Glycine 0 CA--C 1.491 -1.455 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 174.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.4 mt -101.92 -165.0 1.14 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -106.1 -178.7 3.73 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 170.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.72 -39.88 66.59 Favored 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 123.857 0.863 . . . . 0.0 109.064 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.3 t -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 127.914 2.486 . . . . 0.0 112.837 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -68.59 -46.31 69.7 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.176 0.99 . . . . 0.0 110.289 -177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 mt -81.43 -18.12 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 109.362 -174.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.561 ' HA ' HH11 ' A' ' 36' ' ' ARG . 78.8 tttt -66.1 -47.77 73.12 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 124.659 1.184 . . . . 0.0 109.849 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -59.84 -45.05 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 128.098 2.559 . . . . 0.0 110.006 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -59.95 -42.05 93.22 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.63 1.572 . . . . 0.0 112.501 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -76.13 -29.9 57.99 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 123.444 0.698 . . . . 0.0 110.812 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.05 0.94 . . . . 0.0 111.505 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.97 -43.44 58.12 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 109.098 174.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.52 -37.37 85.81 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 124.651 1.18 . . . . 0.0 112.751 176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -74.17 -20.26 60.27 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 125.442 1.497 . . . . 0.0 111.308 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.87 -29.67 44.6 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.004 0.921 . . . . 0.0 110.545 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -72.38 -56.07 6.06 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 123.911 0.885 . . . . 0.0 109.585 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.2 tt -74.47 153.22 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 C-N-CA 125.057 1.343 . . . . 0.0 109.381 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.14 -32.18 0.96 Allowed 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -93.4 -158.87 0.64 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.23 -41.13 8.83 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.581 HG23 ' H ' ' A' ' 66' ' ' GLN . 4.0 t -81.97 -88.23 0.09 Allowed 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 125.218 1.407 . . . . 0.0 109.171 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.581 ' H ' HG23 ' A' ' 65' ' ' THR . 20.6 pt20 -105.01 -179.96 4.1 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.211 1.004 . . . . 0.0 108.613 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.68 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 170.579 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -76.45 -18.7 15.53 Favored 'Trans proline' 0 CA--C 1.506 -0.905 0 C-N-CA 123.247 2.631 . . . . 0.0 111.796 -171.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.9 mmm -106.93 145.24 32.46 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.03 -120.49 0.03 OUTLIER 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 104.015 -2.587 . . . . 0.0 104.015 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -102.05 21.51 14.67 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 172.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -143.55 175.02 10.26 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -176.1 5.35 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -87.57 153.98 53.31 Favored Pre-proline 0 N--CA 1.441 -0.899 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.01 162.84 34.01 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.127 2.551 . . . . 0.0 108.495 167.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -132.18 -81.61 0.5 Allowed 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 104.675 -2.343 . . . . 0.0 104.675 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.2 m -91.52 -56.72 3.02 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.98 125.75 29.78 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 124.446 1.098 . . . . 0.0 109.543 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -99.36 -177.98 3.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.6 p -112.22 177.3 4.69 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 174.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.45 -24.01 61.14 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.471 1.108 . . . . 0.0 111.626 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -77.67 -25.66 49.72 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.556 1.542 . . . . 0.0 109.937 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -81.72 -52.71 6.87 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.36 -17.07 52.18 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 126.862 2.065 . . . . 0.0 113.896 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -59.06 -59.47 5.42 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.663 1.585 . . . . 0.0 110.405 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -62.94 -43.53 98.55 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 126.862 2.065 . . . . 0.0 112.722 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.0 mt -70.23 -36.93 74.84 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 124.1 0.96 . . . . 0.0 112.317 -169.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -77.72 -29.01 51.03 Favored 'General case' 0 CA--C 1.504 -0.826 0 C-N-CA 123.35 0.66 . . . . 0.0 110.093 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.38 -21.11 46.15 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.143 0.977 . . . . 0.0 112.011 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -93.43 -33.51 13.8 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -63.56 -31.54 72.73 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 125.928 1.691 . . . . 0.0 111.886 -174.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -60.34 -51.97 67.25 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -173.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.1 m -85.9 -49.6 7.75 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.36 96.02 5.23 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.911 1.284 . . . . 0.0 108.222 -168.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.63 -56.24 4.88 Favored 'General case' 0 CA--C 1.491 -1.294 0 C-N-CA 122.95 0.5 . . . . 0.0 110.239 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -72.54 101.13 2.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-O 122.444 1.116 . . . . 0.0 110.39 -168.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.14 146.91 40.95 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.462 2.305 . . . . 0.0 108.425 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -97.83 155.67 16.94 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -73.13 -12.07 60.76 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.308 1.043 . . . . 0.0 110.824 175.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.74 -46.85 10.31 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -177.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -82.6 -27.47 31.48 Favored 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 121.818 -0.551 . . . . 0.0 111.422 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -51.2 -33.0 25.6 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 125.645 1.578 . . . . 0.0 112.94 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -85.39 -20.08 30.42 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.45 -170.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -88.33 -23.3 23.45 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 124.902 1.281 . . . . 0.0 108.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.58 -26.46 55.08 Favored 'General case' 0 C--N 1.362 1.127 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.27 -29.54 63.98 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 123.903 0.881 . . . . 0.0 111.026 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.72 -28.41 33.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.701 -0.624 . . . . 0.0 109.848 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.88 -68.29 0.73 Allowed 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 123.891 0.876 . . . . 0.0 112.421 -165.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -72.13 -28.86 63.54 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 126.301 1.84 . . . . 0.0 107.625 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.81 48.67 2.26 Favored Glycine 0 CA--C 1.486 -1.754 0 N-CA-C 106.643 -2.583 . . . . 0.0 106.643 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 mt -102.54 -169.78 1.71 Allowed 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -122.39 175.82 6.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 168.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -71.88 -36.18 69.98 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.978 0.911 . . . . 0.0 109.83 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -68.98 -32.9 72.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 126.759 2.024 . . . . 0.0 111.727 -173.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -74.64 -36.1 62.87 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.33 1.052 . . . . 0.0 110.977 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.9 mt -80.68 -28.02 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 124.892 1.277 . . . . 0.0 108.939 -174.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -55.6 -47.8 75.9 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.649 1.979 . . . . 0.0 110.369 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.31 -51.1 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.387 0 C-N-CA 127.639 2.376 . . . . 0.0 110.647 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.3 t90 -55.84 -49.21 73.93 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.258 1.823 . . . . 0.0 113.409 -170.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.32 -30.81 62.21 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.72 0.808 . . . . 0.0 111.883 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -72.79 -36.09 67.52 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 123.819 0.848 . . . . 0.0 111.365 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -69.12 -40.78 78.09 Favored 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.443 1.497 . . . . 0.0 110.933 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -65.32 -41.63 93.81 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 125.767 1.627 . . . . 0.0 113.135 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -70.02 -56.33 7.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.127 0.971 . . . . 0.0 111.111 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.53 40.88 1.06 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.726 1.61 . . . . 0.0 112.806 -171.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -56.16 -60.04 4.07 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 124.676 1.19 . . . . 0.0 111.631 176.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 tt -79.99 153.02 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 C-N-CA 124.3 1.04 . . . . 0.0 109.74 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' H ' ' H ' ' A' ' 63' ' ' LYS . 53.8 pttt -144.98 -26.06 0.49 Allowed 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' H ' ' H ' ' A' ' 62' ' ' LYS . 20.6 ptmt -91.85 -177.79 4.84 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 125.622 1.569 . . . . 0.0 108.903 -176.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.41 -64.27 1.18 Allowed 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 123.929 0.892 . . . . 0.0 109.729 -173.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -81.24 175.11 10.9 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.662 1.185 . . . . 0.0 108.474 -175.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -86.06 -76.33 0.34 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.664 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.436 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 CA-C-O 118.554 -1.136 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -76.3 -54.81 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.926 2.418 . . . . 0.0 111.56 -170.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -154.46 -158.61 0.87 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -172.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.96 71.9 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.021 1.728 . . . . 0.0 111.816 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -84.41 139.6 32.12 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 173.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.12 118.3 27.59 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -115.02 -135.21 0.35 Allowed 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.01 139.99 85.61 Favored Pre-proline 0 N--CA 1.443 -0.794 0 CA-C-O 117.547 -1.216 . . . . 0.0 108.085 175.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.94 101.58 1.48 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.288 2.659 . . . . 0.0 110.223 -174.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -102.68 160.76 14.3 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 t -81.37 -23.79 37.46 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 124.139 0.976 . . . . 0.0 109.139 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.1 139.89 39.05 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 123.805 0.842 . . . . 0.0 109.84 -173.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -99.93 171.43 7.85 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p -114.62 179.19 4.02 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 170.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.51 -24.57 62.86 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.492 1.117 . . . . 0.0 111.248 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.81 -35.19 76.7 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 125.889 1.676 . . . . 0.0 110.998 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -85.81 -47.87 9.31 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 123.676 0.79 . . . . 0.0 108.997 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.5 -43.35 84.14 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.834 1.653 . . . . 0.0 112.437 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.49 -52.25 62.51 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.558 1.943 . . . . 0.0 112.806 -174.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.55 -26.63 55.34 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 124.197 0.999 . . . . 0.0 111.646 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.7 mt -72.63 -21.86 61.04 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.006 0.522 . . . . 0.0 111.592 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -75.57 -22.28 57.12 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 118.33 0.514 . . . . 0.0 110.103 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.44 -30.98 37.6 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.971 0.908 . . . . 0.0 109.298 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -84.82 -4.42 59.07 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.411 1.084 . . . . 0.0 110.375 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -92.63 -35.84 13.31 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -74.36 -61.58 1.82 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.1 0.96 . . . . 0.0 110.174 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.5 m -88.3 -61.64 1.67 Allowed 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 123.652 0.781 . . . . 0.0 108.96 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -100.95 53.89 0.85 Allowed 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 125.052 1.341 . . . . 0.0 109.871 -164.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -69.72 -35.93 75.46 Favored 'General case' 0 CA--C 1.499 -1.002 0 C-N-CA 124.83 1.252 . . . . 0.0 112.087 -171.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -79.94 86.49 5.44 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 125.562 1.545 . . . . 0.0 109.29 -167.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 3.8 mp -79.65 156.08 27.77 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 125.762 1.625 . . . . 0.0 110.646 -174.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -120.99 -179.7 4.1 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 104.627 -2.361 . . . . 0.0 104.627 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.95 -31.22 66.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -83.16 -40.98 19.02 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.908 1.283 . . . . 0.0 110.411 -167.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.5 -21.49 19.43 Favored 'General case' 0 CA--C 1.482 -1.666 0 O-C-N 121.839 -0.538 . . . . 0.0 111.162 -172.171 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.73 -35.96 75.6 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 124.21 1.004 . . . . 0.0 109.736 166.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -93.2 -0.77 56.77 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.98 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.4 m -86.2 -25.41 25.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 167.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -78.5 -24.66 45.73 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 171.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.89 -25.4 58.91 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 123.85 0.86 . . . . 0.0 111.11 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -77.76 -36.28 50.79 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.24 -68.8 0.58 Allowed 'General case' 0 CA--C 1.493 -1.23 0 C-N-CA 124.935 1.294 . . . . 0.0 113.389 -164.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -73.46 -25.54 60.53 Favored 'General case' 0 CA--C 1.493 -1.24 0 C-N-CA 126.064 1.745 . . . . 0.0 108.346 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.1 47.1 2.7 Favored Glycine 0 CA--C 1.488 -1.649 0 N-CA-C 107.013 -2.435 . . . . 0.0 107.013 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.74 -165.57 1.22 Allowed 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -123.78 178.71 5.11 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.48 -32.52 64.36 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 124.015 0.926 . . . . 0.0 109.538 173.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -70.03 -31.53 69.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 127.381 2.273 . . . . 0.0 111.146 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -71.53 -47.59 54.22 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.807 1.243 . . . . 0.0 110.721 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.77 -30.61 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 124.095 0.958 . . . . 0.0 110.601 -163.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -63.65 -43.38 96.92 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.019 -1.051 . . . . 0.0 112.083 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.84 -46.0 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 C-N-CA 128.034 2.533 . . . . 0.0 110.488 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -59.77 -42.19 92.76 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.855 1.662 . . . . 0.0 112.105 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -75.3 -28.71 59.81 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 123.543 0.737 . . . . 0.0 110.862 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -78.18 -22.11 49.15 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 123.632 0.773 . . . . 0.0 111.515 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -74.72 -43.23 56.1 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.68 1.192 . . . . 0.0 109.346 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -32.56 72.91 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 126.254 1.822 . . . . 0.0 112.326 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -78.86 -22.78 45.56 Favored 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 123.139 0.575 . . . . 0.0 110.473 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.69 6.83 32.91 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 123.899 0.879 . . . . 0.0 111.567 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.64 -7.74 57.94 Favored 'General case' 0 C--N 1.358 0.955 0 O-C-N 121.374 -0.829 . . . . 0.0 110.599 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.9 tt -72.81 160.92 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 C-N-CA 125.738 1.615 . . . . 0.0 107.902 167.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.73 83.64 5.32 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -176.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -114.49 -155.11 0.56 Allowed 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 170.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.52 -63.96 1.18 Allowed 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.169 0.988 . . . . 0.0 109.704 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.0 m -91.34 115.74 28.28 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 -178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -116.41 153.74 31.52 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.617 0 C-N-CA 126.086 1.754 . . . . 0.0 111.707 -179.604 . . . . . . . . 0 0 . 1 stop_ save_